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

C148H139Cl5N20O11 — CID 158462181

IUPAC5-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
SMILESCC(C)C(C)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(NC(=O)c1cc2cccnc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cnccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1.C[C@@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1.C[C@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.Cc1ccc2cc(C(=O)NC(C)c3ccccc3)[nH]c2c1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12
InChIInChI=1S/2C18H18N2O.2C17H14Cl2N2O.2C16H15N3O.2C16H14N2O2.C14H17ClN2O/c1-12-7-6-10-16-15(12)11-17(20-16)18(21)19-13(2)14-8-4-3-5-9-14;1-12-8-9-15-11-17(20-16(15)10-12)18(21)19-13(2)14-6-4-3-5-7-14;2*1-10(11-2-4-13(18)5-3-11)20-17(22)16-9-12-8-14(19)6-7-15(12)21-16;1-11(12-6-3-2-4-7-12)18-16(20)14-10-13-8-5-9-17-15(13)19-14;1-11(12-5-3-2-4-6-12)18-16(20)15-9-13-10-17-8-7-14(13)19-15;2*1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16;1-8(2)9(3)16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h2*3-11,13,20H,1-2H3,(H,19,21);2*2-10,21H,1H3,(H,20,22);2-11H,1H3,(H,17,19)(H,18,20);2-11,19H,1H3,(H,18,20);2*2-11H,1H3,(H,17,19);4-9,17H,1-3H3,(H,16,18)/t;;2*10-;;;2*11-;/m..10..10./s1
InChIKeyHFHVMIBSUDUHCA-GFWPEEEYSA-N
MW2551.13 g/mol
LogP34.21
Rot. Bonds27

About 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

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 (PubChem CID 158462181) has the molecular formula C148H139Cl5N20O11 and a molecular weight of 2551.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158462181
Molecular FormulaC148H139Cl5N20O11
Molecular Weight2551.13 g/mol
Exact Mass2546.94
IUPAC Name5-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
SMILESCC(C)C(C)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(NC(=O)c1cc2cccnc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cnccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1.C[C@@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1.C[C@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.Cc1ccc2cc(C(=O)NC(C)c3ccccc3)[nH]c2c1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12
InChIInChI=1S/2C18H18N2O.2C17H14Cl2N2O.2C16H15N3O.2C16H14N2O2.C14H17ClN2O/c1-12-7-6-10-16-15(12)11-17(20-16)18(21)19-13(2)14-8-4-3-5-9-14;1-12-8-9-15-11-17(20-16(15)10-12)18(21)19-13(2)14-6-4-3-5-7-14;2*1-10(11-2-4-13(18)5-3-11)20-17(22)16-9-12-8-14(19)6-7-15(12)21-16;1-11(12-6-3-2-4-7-12)18-16(20)14-10-13-8-5-9-17-15(13)19-14;1-11(12-5-3-2-4-6-12)18-16(20)15-9-13-10-17-8-7-14(13)19-15;2*1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16;1-8(2)9(3)16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h2*3-11,13,20H,1-2H3,(H,19,21);2*2-10,21H,1H3,(H,20,22);2-11H,1H3,(H,17,19)(H,18,20);2-11,19H,1H3,(H,18,20);2*2-11H,1H3,(H,17,19);4-9,17H,1-3H3,(H,16,18)/t;;2*10-;;;2*11-;/m..10..10./s1
InChIKeyHFHVMIBSUDUHCA-GFWPEEEYSA-N
XLogP34.21
TPSA450.27 Ų
H-Bond Donors16
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002551.13
LogP ≤ 534.21
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159470995
5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide
CID 157234091
3-chloro-4-[[4-methoxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-chloro-4-[[4-methoxy-5-[4-(methylcarbamoyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-chloro-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157411526
(2S,4R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-(4-cyclohexylbutanoyl)pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1-oxopropan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide
CID 157984572
3-chloro-N,N-dimethyl-4-[[4-(methylamino)-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-methoxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide;[3-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone
CID 158110185
2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone
CID 158151699
3-chloro-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-chloro-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3S)-oxolan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,3-dimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3S)-oxolan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 158461527
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-3-methyl-1H-indole;5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole;6-tert-butyl-2-phenyl-1H-benzimidazole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline
CID 158684939
3-chloro-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(oxetan-3-yl)benzamide;4-[[5-(2-chloro-6-methyl-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-propylbenzamide
CID 158817973
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole;6-tert-butyl-2-phenyl-1H-benzimidazole;5,6-ditert-butyl-1H-indole
CID 158903423
3-chloro-4-[[4-(4-hydroxy-4-methylcyclohexyl)oxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-chloro-4-[[4-methoxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-chloro-4-[[4-methoxy-5-[4-(methylcarbamoyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide
CID 159000493
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole;6-tert-butyl-2-phenyl-1H-benzimidazole;5,6-ditert-butyl-1H-indole
CID 159209404

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(C)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(NC(=O)c1cc2cccnc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cnccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1.C[C@@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1.C[C@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.Cc1ccc2cc(C(=O)NC(C)c3ccccc3)[nH]c2c1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12.
What is the InChIKey of 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?
The InChIKey is HFHVMIBSUDUHCA-GFWPEEEYSA-N. The full InChI is InChI=1S/2C18H18N2O.2C17H14Cl2N2O.2C16H15N3O.2C16H14N2O2.C14H17ClN2O/c1-12-7-6-10-16-15(12)11-17(20-16)18(21)19-13(2)14-8-4-3-5-9-14;1-12-8-9-15-11-17(20-16(15)10-12)18(21)19-13(2)14-6-4-3-5-7-14;2*1-10(11-2-4-13(18)5-3-11)20-17(22)16-9-12-8-14(19)6-7-15(12)21-16;1-11(12-6-3-2-4-7-12)18-16(20)14-10-13-8-5-9-17-15(13)19-14;1-11(12-5-3-2-4-6-12)18-16(20)15-9-13-10-17-8-7-14(13)19-15;2*1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16;1-8(2)9(3)16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h2*3-11,13,20H,1-2H3,(H,19,21);2*2-10,21H,1H3,(H,20,22);2-11H,1H3,(H,17,19)(H,18,20);2-11,19H,1H3,(H,18,20);2*2-11H,1H3,(H,17,19);4-9,17H,1-3H3,(H,16,18)/t;;2*10-;;;2*11-;/m..10..10./s1.
What are the key properties of 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?
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 has a molecular weight of 2551.13 g/mol, XLogP of 34.21, 27 rotatable bonds, 16 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158462181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).