5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide

C129H113Cl3N16O8 — CID 160583737

IUPAC5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide
SMILESC[C@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.Cc1ccc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)CC2)cc1.Cc1ccc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12.N#Cc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CC3)cc2c1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)CCC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H17N3O.2C19H17ClN2O.C19H15N3O.C18H15ClN2O.C18H18N2O.C16H14N2O2/c1-13-2-5-16(6-3-13)20(8-9-20)23-19(24)18-11-15-10-14(12-21)4-7-17(15)22-18;1-12-2-4-14(5-3-12)19(8-9-19)22-18(23)17-11-13-10-15(20)6-7-16(13)21-17;20-15-7-8-16-13(11-15)12-17(21-16)18(23)22-19(9-4-10-19)14-5-2-1-3-6-14;20-12-13-6-7-16-14(10-13)11-17(21-16)18(23)22-19(8-9-19)15-4-2-1-3-5-15;19-14-6-7-15-12(10-14)11-16(20-15)17(22)21-18(8-9-18)13-4-2-1-3-5-13;1-12-7-6-10-16-15(12)11-17(20-16)18(21)19-13(2)14-8-4-3-5-9-14;1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16/h2-7,10-11,22H,8-9H2,1H3,(H,23,24);2-7,10-11,21H,8-9H2,1H3,(H,22,23);1-3,5-8,11-12,21H,4,9-10H2,(H,22,23);1-7,10-11,21H,8-9H2,(H,22,23);1-7,10-11,20H,8-9H2,(H,21,22);3-11,13,20H,1-2H3,(H,19,21);2-11H,1H3,(H,17,19)/t;;;;;;11-/m......0/s1
InChIKeyRCCRYZRGTAISJI-BPLIMEBISA-N
MW2121.79 g/mol
LogP27.93
Rot. Bonds21

About 5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide

5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide (PubChem CID 160583737) has the molecular formula C129H113Cl3N16O8 and a molecular weight of 2121.79 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide
PubChem CID160583737
Molecular FormulaC129H113Cl3N16O8
Molecular Weight2121.79 g/mol
Exact Mass2118.80
IUPAC Name5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide
SMILESC[C@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.Cc1ccc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)CC2)cc1.Cc1ccc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12.N#Cc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CC3)cc2c1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)CCC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H17N3O.2C19H17ClN2O.C19H15N3O.C18H15ClN2O.C18H18N2O.C16H14N2O2/c1-13-2-5-16(6-3-13)20(8-9-20)23-19(24)18-11-15-10-14(12-21)4-7-17(15)22-18;1-12-2-4-14(5-3-12)19(8-9-19)22-18(23)17-11-13-10-15(20)6-7-16(13)21-17;20-15-7-8-16-13(11-15)12-17(21-16)18(23)22-19(9-4-10-19)14-5-2-1-3-6-14;20-12-13-6-7-16-14(10-13)11-17(21-16)18(23)22-19(8-9-19)15-4-2-1-3-5-15;19-14-6-7-15-12(10-14)11-16(20-15)17(22)21-18(8-9-18)13-4-2-1-3-5-13;1-12-7-6-10-16-15(12)11-17(20-16)18(21)19-13(2)14-8-4-3-5-9-14;1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16/h2-7,10-11,22H,8-9H2,1H3,(H,23,24);2-7,10-11,21H,8-9H2,1H3,(H,22,23);1-3,5-8,11-12,21H,4,9-10H2,(H,22,23);1-7,10-11,21H,8-9H2,(H,22,23);1-7,10-11,20H,8-9H2,(H,21,22);3-11,13,20H,1-2H3,(H,19,21);2-11H,1H3,(H,17,19)/t;;;;;;11-/m......0/s1
InChIKeyRCCRYZRGTAISJI-BPLIMEBISA-N
XLogP27.93
TPSA372.05 Ų
H-Bond Donors13
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002121.79
LogP ≤ 527.93
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1011

Analyze 5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide with MolForge

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Related Compounds

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
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-[1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;N-(3,4-dihydro-2H-chromen-4-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
CID 159486410
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylethyl)-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-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(1-phenylethyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 159532143
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;N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide
CID 160325304

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide (CID 160583737) is 5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide is C[C@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.Cc1ccc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)CC2)cc1.Cc1ccc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1cccc2[nH]c(C(=O)NC(C)c3ccccc3)cc12.N#Cc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CC3)cc2c1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)CCC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide?
The InChIKey is RCCRYZRGTAISJI-BPLIMEBISA-N. The full InChI is InChI=1S/C20H17N3O.2C19H17ClN2O.C19H15N3O.C18H15ClN2O.C18H18N2O.C16H14N2O2/c1-13-2-5-16(6-3-13)20(8-9-20)23-19(24)18-11-15-10-14(12-21)4-7-17(15)22-18;1-12-2-4-14(5-3-12)19(8-9-19)22-18(23)17-11-13-10-15(20)6-7-16(13)21-17;20-15-7-8-16-13(11-15)12-17(21-16)18(23)22-19(9-4-10-19)14-5-2-1-3-6-14;20-12-13-6-7-16-14(10-13)11-17(21-16)18(23)22-19(8-9-19)15-4-2-1-3-5-15;19-14-6-7-15-12(10-14)11-16(20-15)17(22)21-18(8-9-18)13-4-2-1-3-5-13;1-12-7-6-10-16-15(12)11-17(20-16)18(21)19-13(2)14-8-4-3-5-9-14;1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16/h2-7,10-11,22H,8-9H2,1H3,(H,23,24);2-7,10-11,21H,8-9H2,1H3,(H,22,23);1-3,5-8,11-12,21H,4,9-10H2,(H,22,23);1-7,10-11,21H,8-9H2,(H,22,23);1-7,10-11,20H,8-9H2,(H,21,22);3-11,13,20H,1-2H3,(H,19,21);2-11H,1H3,(H,17,19)/t;;;;;;11-/m......0/s1.
What are the key properties of 5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide?
5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide has a molecular weight of 2121.79 g/mol, XLogP of 27.93, 21 rotatable bonds, 13 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(4-methylphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1S)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 160583737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).