5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide

C103H94Cl2F2N12O7 — CID 161030632

IUPAC5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.COc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1.Cc1ccc(CNC(=O)c2cc3cc(C)ccc3[nH]2)cc1.Cc1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1.Cc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3)cc2c1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/2C18H18N2O.C17H15ClN2O.C17H15FN2O2.C17H15FN2O.C16H13ClN2O/c1-12-3-6-14(7-4-12)11-19-18(21)17-10-15-9-13(2)5-8-16(15)20-17;1-12-8-9-16-15(10-12)11-17(20-16)18(21)19-13(2)14-6-4-3-5-7-14;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-22-14-5-2-11(3-6-14)10-19-17(21)16-9-12-8-13(18)4-7-15(12)20-16;1-11-2-7-15-13(8-11)9-16(20-15)17(21)19-10-12-3-5-14(18)6-4-12;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15/h3-10,20H,11H2,1-2H3,(H,19,21);3-11,13,20H,1-2H3,(H,19,21);2-11,20H,1H3,(H,19,21);2-9,20H,10H2,1H3,(H,19,21);2-9,20H,10H2,1H3,(H,19,21);1-9,19H,10H2,(H,18,20)
InChIKeyTZOLUUPHCNAWCG-UHFFFAOYSA-N
MW1720.86 g/mol
LogP22.54
Rot. Bonds19

About 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide

5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 161030632) has the molecular formula C103H94Cl2F2N12O7 and a molecular weight of 1720.86 g/mol. Its IUPAC name is 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
PubChem CID161030632
Molecular FormulaC103H94Cl2F2N12O7
Molecular Weight1720.86 g/mol
Exact Mass1718.67
IUPAC Name5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.COc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1.Cc1ccc(CNC(=O)c2cc3cc(C)ccc3[nH]2)cc1.Cc1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1.Cc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3)cc2c1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/2C18H18N2O.C17H15ClN2O.C17H15FN2O2.C17H15FN2O.C16H13ClN2O/c1-12-3-6-14(7-4-12)11-19-18(21)17-10-15-9-13(2)5-8-16(15)20-17;1-12-8-9-16-15(10-12)11-17(20-16)18(21)19-13(2)14-6-4-3-5-7-14;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-22-14-5-2-11(3-6-14)10-19-17(21)16-9-12-8-13(18)4-7-15(12)20-16;1-11-2-7-15-13(8-11)9-16(20-15)17(21)19-10-12-3-5-14(18)6-4-12;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15/h3-10,20H,11H2,1-2H3,(H,19,21);3-11,13,20H,1-2H3,(H,19,21);2-11,20H,1H3,(H,19,21);2-9,20H,10H2,1H3,(H,19,21);2-9,20H,10H2,1H3,(H,19,21);1-9,19H,10H2,(H,18,20)
InChIKeyTZOLUUPHCNAWCG-UHFFFAOYSA-N
XLogP22.54
TPSA278.57 Ų
H-Bond Donors12
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001720.86
LogP ≤ 522.54
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[2-[[2,2-bis(4-fluorophenyl)-5-[4-(2-methoxyphenyl)piperidin-1-yl]pentyl]amino]-2-oxoethyl]-5-chloro-1H-indole-2-carboxamide
CID 9939913
N-[(2S)-1-[(1S,4S)-5-[2-chloro-5-(trifluoromethyl)benzoyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(2-methoxy-4-methylbenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 134247244
5-chloro-N-[(2S)-3-naphthalen-2-yl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]amino]butan-2-yl]amino]propan-2-yl]-1H-indole-2-carboxamide
CID 146670446
5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 157127123
5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 157282098
5-chloro-7-(4-cyanophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-7-(2,4-difluorophenyl)-3-methyl-1H-indole-2-carboxamide;5-chloro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 157289193
5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 157497105
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-[4-(1,1-difluoroethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 157907858
N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158194949
5-chloro-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;5-chloro-N-(piperidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1-(2-chloropropan-2-yl)-4-methoxybenzene;methane
CID 158261374
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 159055550
N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;pentakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 159586072

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide (CID 161030632) is 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.COc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1.Cc1ccc(CNC(=O)c2cc3cc(C)ccc3[nH]2)cc1.Cc1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1.Cc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3)cc2c1.O=C(NCc1cccc(Cl)c1)c1cc2ccccc2[nH]1.
What is the InChIKey of 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is TZOLUUPHCNAWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18N2O.C17H15ClN2O.C17H15FN2O2.C17H15FN2O.C16H13ClN2O/c1-12-3-6-14(7-4-12)11-19-18(21)17-10-15-9-13(2)5-8-16(15)20-17;1-12-8-9-16-15(10-12)11-17(20-16)18(21)19-13(2)14-6-4-3-5-7-14;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-22-14-5-2-11(3-6-14)10-19-17(21)16-9-12-8-13(18)4-7-15(12)20-16;1-11-2-7-15-13(8-11)9-16(20-15)17(21)19-10-12-3-5-14(18)6-4-12;17-13-6-3-4-11(8-13)10-18-16(20)15-9-12-5-1-2-7-14(12)19-15/h3-10,20H,11H2,1-2H3,(H,19,21);3-11,13,20H,1-2H3,(H,19,21);2-11,20H,1H3,(H,19,21);2-9,20H,10H2,1H3,(H,19,21);2-9,20H,10H2,1H3,(H,19,21);1-9,19H,10H2,(H,18,20).
What are the key properties of 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide?
5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 1720.86 g/mol, XLogP of 22.54, 19 rotatable bonds, 12 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 161030632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).