(E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide

C186H228Cl2F3N31O20 — CID 159338070

IUPAC(E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)/C=C/c1ccc(Cl)cc1F.CC(C)NC(=O)/C=C/c1ccccc1.CC(C)NC(=O)c1cc2c(C3CC3)cccc2[nH]1.CC(C)NC(=O)c1cc2c(CC3CC3)cccc2[nH]1.CC(C)NC(=O)c1cc2c(OC(F)F)cccc2[nH]1.CC(C)NC(=O)c1cc2c(OCCN3CCOCC3)cccc2[nH]1.CC(C)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(C)NC(=O)c1cc2ccccc2[nH]1.CC(C)NC(=O)c1nc2ccncc2[nH]1.CC(C)NC(=O)c1nc2ncccc2[nH]1.CCCOc1cccc2[nH]c(C(=O)NC(C)C)cc12.CCOc1cccc2[nH]c(C(=O)NC(C)C)cc12.CCc1cccc2[nH]c(C(=O)NC(C)C)cc12.COc1cccc2[nH]c(C(=O)NC(C)C)cc12
InChIInChI=1S/C18H25N3O3.C16H20N2O.C15H20N2O2.C15H18N2O.C14H18N2O2.C14H18N2O.C13H14F2N2O2.C13H16N2O2.C12H13ClFNO.C12H13ClN2O.C12H14N2O.C12H15NO.2C10H12N4O/c1-13(2)19-18(22)16-12-14-15(20-16)4-3-5-17(14)24-11-8-21-6-9-23-10-7-21;1-10(2)17-16(19)15-9-13-12(8-11-6-7-11)4-3-5-14(13)18-15;1-4-8-19-14-7-5-6-12-11(14)9-13(17-12)15(18)16-10(2)3;1-9(2)16-15(18)14-8-12-11(10-6-7-10)4-3-5-13(12)17-14;1-4-18-13-7-5-6-11-10(13)8-12(16-11)14(17)15-9(2)3;1-4-10-6-5-7-12-11(10)8-13(16-12)14(17)15-9(2)3;1-7(2)16-12(18)10-6-8-9(17-10)4-3-5-11(8)19-13(14)15;1-8(2)14-13(16)11-7-9-10(15-11)5-4-6-12(9)17-3;1-8(2)15-12(16)6-4-9-3-5-10(13)7-11(9)14;1-7(2)14-12(16)11-6-8-5-9(13)3-4-10(8)15-11;1-8(2)13-12(15)11-7-9-5-3-4-6-10(9)14-11;1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-6(2)12-10(15)9-13-7-3-4-11-5-8(7)14-9;1-6(2)12-10(15)9-13-7-4-3-5-11-8(7)14-9/h3-5,12-13,20H,6-11H2,1-2H3,(H,19,22);3-5,9-11,18H,6-8H2,1-2H3,(H,17,19);5-7,9-10,17H,4,8H2,1-3H3,(H,16,18);3-5,8-10,17H,6-7H2,1-2H3,(H,16,18);5-9,16H,4H2,1-3H3,(H,15,17);5-9,16H,4H2,1-3H3,(H,15,17);3-7,13,17H,1-2H3,(H,16,18);4-8,15H,1-3H3,(H,14,16);3-8H,1-2H3,(H,15,16);3-7,15H,1-2H3,(H,14,16);3-8,14H,1-2H3,(H,13,15);3-10H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,15)(H,13,14);3-6H,1-2H3,(H,12,15)(H,11,13,14)/b;;;;;;;;6-4+;;;9-8+;;
InChIKeyLFUJBTPQMMNJME-GOWAMOFWSA-N
MW3345.97 g/mol
LogP35.05
Rot. Bonds46

About (E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide

(E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide (PubChem CID 159338070) has the molecular formula C186H228Cl2F3N31O20 and a molecular weight of 3345.97 g/mol. Its IUPAC name is (E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide
PubChem CID159338070
Molecular FormulaC186H228Cl2F3N31O20
Molecular Weight3345.97 g/mol
Exact Mass3342.71
IUPAC Name(E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)/C=C/c1ccc(Cl)cc1F.CC(C)NC(=O)/C=C/c1ccccc1.CC(C)NC(=O)c1cc2c(C3CC3)cccc2[nH]1.CC(C)NC(=O)c1cc2c(CC3CC3)cccc2[nH]1.CC(C)NC(=O)c1cc2c(OC(F)F)cccc2[nH]1.CC(C)NC(=O)c1cc2c(OCCN3CCOCC3)cccc2[nH]1.CC(C)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(C)NC(=O)c1cc2ccccc2[nH]1.CC(C)NC(=O)c1nc2ccncc2[nH]1.CC(C)NC(=O)c1nc2ncccc2[nH]1.CCCOc1cccc2[nH]c(C(=O)NC(C)C)cc12.CCOc1cccc2[nH]c(C(=O)NC(C)C)cc12.CCc1cccc2[nH]c(C(=O)NC(C)C)cc12.COc1cccc2[nH]c(C(=O)NC(C)C)cc12
InChIInChI=1S/C18H25N3O3.C16H20N2O.C15H20N2O2.C15H18N2O.C14H18N2O2.C14H18N2O.C13H14F2N2O2.C13H16N2O2.C12H13ClFNO.C12H13ClN2O.C12H14N2O.C12H15NO.2C10H12N4O/c1-13(2)19-18(22)16-12-14-15(20-16)4-3-5-17(14)24-11-8-21-6-9-23-10-7-21;1-10(2)17-16(19)15-9-13-12(8-11-6-7-11)4-3-5-14(13)18-15;1-4-8-19-14-7-5-6-12-11(14)9-13(17-12)15(18)16-10(2)3;1-9(2)16-15(18)14-8-12-11(10-6-7-10)4-3-5-13(12)17-14;1-4-18-13-7-5-6-11-10(13)8-12(16-11)14(17)15-9(2)3;1-4-10-6-5-7-12-11(10)8-13(16-12)14(17)15-9(2)3;1-7(2)16-12(18)10-6-8-9(17-10)4-3-5-11(8)19-13(14)15;1-8(2)14-13(16)11-7-9-10(15-11)5-4-6-12(9)17-3;1-8(2)15-12(16)6-4-9-3-5-10(13)7-11(9)14;1-7(2)14-12(16)11-6-8-5-9(13)3-4-10(8)15-11;1-8(2)13-12(15)11-7-9-5-3-4-6-10(9)14-11;1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-6(2)12-10(15)9-13-7-3-4-11-5-8(7)14-9;1-6(2)12-10(15)9-13-7-4-3-5-11-8(7)14-9/h3-5,12-13,20H,6-11H2,1-2H3,(H,19,22);3-5,9-11,18H,6-8H2,1-2H3,(H,17,19);5-7,9-10,17H,4,8H2,1-3H3,(H,16,18);3-5,8-10,17H,6-7H2,1-2H3,(H,16,18);5-9,16H,4H2,1-3H3,(H,15,17);5-9,16H,4H2,1-3H3,(H,15,17);3-7,13,17H,1-2H3,(H,16,18);4-8,15H,1-3H3,(H,14,16);3-8H,1-2H3,(H,15,16);3-7,15H,1-2H3,(H,14,16);3-8,14H,1-2H3,(H,13,15);3-10H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,15)(H,13,14);3-6H,1-2H3,(H,12,15)(H,11,13,14)/b;;;;;;;;6-4+;;;9-8+;;
InChIKeyLFUJBTPQMMNJME-GOWAMOFWSA-N
XLogP35.05
TPSA707.06 Ų
H-Bond Donors26
H-Bond Acceptors25
Rotatable Bonds46
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003345.97
LogP ≤ 535.05
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(6-methoxy-1H-indol-2-yl)-2-(1-phenylcyclopropyl)ethanone;6-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;6-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 157894412
N-[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3-fluoro-3-methylpiperidine-1-carboxamide;N-[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3-fluoro-3-methylpyrrolidine-1-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(cyclopropylcarbamoylamino)indol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-2-ylmethylcarbamoylamino)indol-1-yl]acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;methane
CID 159449986
4-chloro-3-fluoro-N-methylbenzamide;4-chloro-2-methoxy-N-methylbenzamide;bis(6-chloro-2-methyl-1H-benzimidazole);1-cyclopropyl-2-methylbenzimidazole;1-(cyclopropylmethyl)-2-methylbenzimidazole;1-(1,3-dihydroisoindol-2-yl)ethanone;1,2-dimethylbenzimidazole;N,3-dimethyl-1-benzofuran-2-carboxamide;1-(4,4-dimethylcyclohexyl)propan-2-one;2,3-dimethylimidazo[1,2-a]pyridine;N,5-dimethyl-2-(trifluoromethyl)benzamide;methane;2-methoxy-N,6-dimethylpyridine-3-carboxamide;bis(4-methoxy-N-methylquinoline-2-carboxamide);N-methylspiro[2.5]octane-6-carboxamide;1-spiro[2.5]octan-6-ylpropan-2-one;(4R)-4,5,5-trimethylhexan-2-one
CID 160136776
CID 160202990
CID 160202990
CID 160498773
CID 160498773
2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[3-[1-ethyl-4-(1H-indol-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea
CID 160643414
N-[1-(1-acetylpiperidin-4-yl)cyclopropyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylsulfonylpiperidin-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 160885442
3-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]pyridine-2-carboxylic acid;3-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]pyridine-4-carboxylic acid;5-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]pyrimidine-4-carboxylic acid;2-[7-chloro-4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-oxo-1H-isoindol-2-yl]-4-(trifluoromethoxy)benzoic acid;3-[[7-chloro-2-[2-(hydroxymethyl)phenyl]-3-oxo-1H-isoindol-4-yl]amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione
CID 161543492
CID 162002567
CID 162002567
7-chloro-6-methoxy-N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 167654648
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-hydroxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide
CID 157075618
5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;6-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 158462181

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide?
The IUPAC name of (E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide (CID 159338070) is (E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide.
What is the SMILES notation for (E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide?
The canonical SMILES for (E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide is CC(C)NC(=O)/C=C/c1ccc(Cl)cc1F.CC(C)NC(=O)/C=C/c1ccccc1.CC(C)NC(=O)c1cc2c(C3CC3)cccc2[nH]1.CC(C)NC(=O)c1cc2c(CC3CC3)cccc2[nH]1.CC(C)NC(=O)c1cc2c(OC(F)F)cccc2[nH]1.CC(C)NC(=O)c1cc2c(OCCN3CCOCC3)cccc2[nH]1.CC(C)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(C)NC(=O)c1cc2ccccc2[nH]1.CC(C)NC(=O)c1nc2ccncc2[nH]1.CC(C)NC(=O)c1nc2ncccc2[nH]1.CCCOc1cccc2[nH]c(C(=O)NC(C)C)cc12.CCOc1cccc2[nH]c(C(=O)NC(C)C)cc12.CCc1cccc2[nH]c(C(=O)NC(C)C)cc12.COc1cccc2[nH]c(C(=O)NC(C)C)cc12.
What is the InChIKey of (E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide?
The InChIKey is LFUJBTPQMMNJME-GOWAMOFWSA-N. The full InChI is InChI=1S/C18H25N3O3.C16H20N2O.C15H20N2O2.C15H18N2O.C14H18N2O2.C14H18N2O.C13H14F2N2O2.C13H16N2O2.C12H13ClFNO.C12H13ClN2O.C12H14N2O.C12H15NO.2C10H12N4O/c1-13(2)19-18(22)16-12-14-15(20-16)4-3-5-17(14)24-11-8-21-6-9-23-10-7-21;1-10(2)17-16(19)15-9-13-12(8-11-6-7-11)4-3-5-14(13)18-15;1-4-8-19-14-7-5-6-12-11(14)9-13(17-12)15(18)16-10(2)3;1-9(2)16-15(18)14-8-12-11(10-6-7-10)4-3-5-13(12)17-14;1-4-18-13-7-5-6-11-10(13)8-12(16-11)14(17)15-9(2)3;1-4-10-6-5-7-12-11(10)8-13(16-12)14(17)15-9(2)3;1-7(2)16-12(18)10-6-8-9(17-10)4-3-5-11(8)19-13(14)15;1-8(2)14-13(16)11-7-9-10(15-11)5-4-6-12(9)17-3;1-8(2)15-12(16)6-4-9-3-5-10(13)7-11(9)14;1-7(2)14-12(16)11-6-8-5-9(13)3-4-10(8)15-11;1-8(2)13-12(15)11-7-9-5-3-4-6-10(9)14-11;1-10(2)13-12(14)9-8-11-6-4-3-5-7-11;1-6(2)12-10(15)9-13-7-3-4-11-5-8(7)14-9;1-6(2)12-10(15)9-13-7-4-3-5-11-8(7)14-9/h3-5,12-13,20H,6-11H2,1-2H3,(H,19,22);3-5,9-11,18H,6-8H2,1-2H3,(H,17,19);5-7,9-10,17H,4,8H2,1-3H3,(H,16,18);3-5,8-10,17H,6-7H2,1-2H3,(H,16,18);5-9,16H,4H2,1-3H3,(H,15,17);5-9,16H,4H2,1-3H3,(H,15,17);3-7,13,17H,1-2H3,(H,16,18);4-8,15H,1-3H3,(H,14,16);3-8H,1-2H3,(H,15,16);3-7,15H,1-2H3,(H,14,16);3-8,14H,1-2H3,(H,13,15);3-10H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,15)(H,13,14);3-6H,1-2H3,(H,12,15)(H,11,13,14)/b;;;;;;;;6-4+;;;9-8+;;.
What are the key properties of (E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide?
(E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide has a molecular weight of 3345.97 g/mol, XLogP of 35.05, 46 rotatable bonds, 26 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-enamide;5-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4-(cyclopropylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide;4-cyclopropyl-N-propan-2-yl-1H-indole-2-carboxamide;4-(difluoromethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;4-ethoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-ethyl-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-(2-morpholin-4-ylethoxy)-N-propan-2-yl-1H-indole-2-carboxamide;(E)-3-phenyl-N-propan-2-ylprop-2-enamide;N-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-carboxamide;N-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-propoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 159338070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).