5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C134H126ClN19O10 — CID 162010396

IUPAC5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc2cccnc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2ccncc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cnccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.C[C@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.Cc1ccc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.Cc1ccc2cc(C(=O)NC(C)c3ccccc3)[nH]c2c1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12
InChIInChI=1S/C18H17ClN2O.2C18H18N2O.3C16H15N3O.2C16H14N2O2/c1-11-3-5-13(6-4-11)12(2)20-18(22)17-10-14-9-15(19)7-8-16(14)21-17;1-12-7-6-10-16-15(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;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;1-11(12-5-3-2-4-6-12)18-16(20)14-9-13-7-8-17-10-15(13)19-14;2*1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16/h3-10,12,21H,1-2H3,(H,20,22);2*3-11,13,20H,1-2H3,(H,19,21);2-11H,1H3,(H,17,19)(H,18,20);2*2-11,19H,1H3,(H,18,20);2*2-11H,1H3,(H,17,19)/t12-;;;;;;2*11-/m0.....10/s1
InChIKeyYTJWLZZNVWBKGD-WLBLPAFASA-N
MW2198.06 g/mol
LogP28.35
Rot. Bonds24

About 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 162010396) has the molecular formula C134H126ClN19O10 and a molecular weight of 2198.06 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID162010396
Molecular FormulaC134H126ClN19O10
Molecular Weight2198.06 g/mol
Exact Mass2195.96
IUPAC Name5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc2cccnc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2ccncc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cnccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.C[C@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.Cc1ccc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.Cc1ccc2cc(C(=O)NC(C)c3ccccc3)[nH]c2c1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12
InChIInChI=1S/C18H17ClN2O.2C18H18N2O.3C16H15N3O.2C16H14N2O2/c1-11-3-5-13(6-4-11)12(2)20-18(22)17-10-14-9-15(19)7-8-16(14)21-17;1-12-7-6-10-16-15(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;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;1-11(12-5-3-2-4-6-12)18-16(20)14-9-13-7-8-17-10-15(13)19-14;2*1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16/h3-10,12,21H,1-2H3,(H,20,22);2*3-11,13,20H,1-2H3,(H,19,21);2-11H,1H3,(H,17,19)(H,18,20);2*2-11,19H,1H3,(H,18,20);2*2-11H,1H3,(H,17,19)/t12-;;;;;;2*11-/m0.....10/s1
InChIKeyYTJWLZZNVWBKGD-WLBLPAFASA-N
XLogP28.35
TPSA418.27 Ų
H-Bond Donors14
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002198.06
LogP ≤ 528.35
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1015

Analyze 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]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
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,6-dimethylimidazo[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-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159543739
1,3-benzoxazol-2-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;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160680315
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
N-[2-(dimethylamino)ethyl]-3-methoxy-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[5-[6-(dimethylamino)-3-pyridinyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-4-[[4-methoxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157454668
21,22-dihydroporphyrin;2,15-dioxa-9,11,13,22,24,26,27,28-octazapentacyclo[21.3.1.110,14.03,8.016,21]octacosa-1(26),3,5,7,10(28),11,13,16,18,20,23(27),24-dodecaene;1,4,7,10-tetrazacyclododecane;37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene;1,3,5-triazine;5,10,15-triphenyl-22,24-dihydro-21H-corrin
CID 157621691
4-[[4-cyclobutyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[5-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157694240
4-[[4-cyclobutyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[5-[4-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[2-(methylamino)-4-pyridinyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157782261
2-phenyl-3-propan-2-ylpyridine;2-phenyl-4-propan-2-ylpyridine;2-phenyl-5-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;3-phenyl-2-propan-2-ylpyridine;3-phenyl-4-propan-2-ylpyridine;3-phenyl-5-propan-2-ylpyridine;4-phenyl-2-propan-2-ylpyridine;4-phenyl-3-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylfuro[2,3-b]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 157900007
4-[[4-[(2S)-butan-2-yl]oxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-[(2R)-butan-2-yl]oxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157914538
2,4-ditert-butyl-1H-benzimidazole;2,4-ditert-butyl-1,3-benzoxazole;2,7-ditert-butyl-1H-imidazo[4,5-b]pyridine;2,7-ditert-butyl-1H-indole;3,5-ditert-butylisoquinoline;1,7-ditert-butylnaphthalene;4,6-ditert-butyl-1,7-naphthyridine;2,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;4,6-ditert-butylquinoline;methane
CID 157991955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 162010396) is 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CC(NC(=O)c1cc2cccnc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2ccncc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cnccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.C[C@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.Cc1ccc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.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-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is YTJWLZZNVWBKGD-WLBLPAFASA-N. The full InChI is InChI=1S/C18H17ClN2O.2C18H18N2O.3C16H15N3O.2C16H14N2O2/c1-11-3-5-13(6-4-11)12(2)20-18(22)17-10-14-9-15(19)7-8-16(14)21-17;1-12-7-6-10-16-15(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;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;1-11(12-5-3-2-4-6-12)18-16(20)14-9-13-7-8-17-10-15(13)19-14;2*1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16/h3-10,12,21H,1-2H3,(H,20,22);2*3-11,13,20H,1-2H3,(H,19,21);2-11H,1H3,(H,17,19)(H,18,20);2*2-11,19H,1H3,(H,18,20);2*2-11H,1H3,(H,17,19)/t12-;;;;;;2*11-/m0.....10/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 2198.06 g/mol, XLogP of 28.35, 24 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-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[2,3-c]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 162010396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).