5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide

C139H125Cl4F5N16O8 — CID 157350329

IUPAC5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.C[C@H](c1ccccc1)N(C)C(=O)c1cc2cc(F)ccc2[nH]1.Cc1c(C(=O)N[C@H](C)c2ccccc2)[nH]c2ccc(F)cc12.Cc1ccc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.Cc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.Cc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1Cl
InChIInChI=1S/C18H17ClN2O.2C18H17FN2O.C17H14Cl2N2O.C17H15ClN2O.3C17H15FN2O/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(13-6-4-3-5-7-13)21(2)18(22)17-11-14-10-15(19)8-9-16(14)20-17;1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;1-10-2-3-11(6-14(10)19)9-20-17(22)16-8-12-7-13(18)4-5-15(12)21-16;1-11-2-4-12(5-3-11)10-19-17(21)16-9-13-8-14(18)6-7-15(13)20-16;2*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-11(12-5-3-2-4-6-12)19-17(21)16-9-13-7-8-14(18)10-15(13)20-16/h3-10,12,21H,1-2H3,(H,20,22);3-12,20H,1-2H3;3-10,12,21H,1-2H3,(H,20,22);2-8,21H,9H2,1H3,(H,20,22);2-9,20H,10H2,1H3,(H,19,21);3*2-11,20H,1H3,(H,19,21)/t;2*12-;;;3*11-/m.11..101/s1
InChIKeyBHLKVXSKCAPRAB-XIONHJPJSA-N
MW2384.43 g/mol
LogP33.03
Rot. Bonds24

About 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide

5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 157350329) has the molecular formula C139H125Cl4F5N16O8 and a molecular weight of 2384.43 g/mol. Its IUPAC name is 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide
PubChem CID157350329
Molecular FormulaC139H125Cl4F5N16O8
Molecular Weight2384.43 g/mol
Exact Mass2380.85
IUPAC Name5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.C[C@H](c1ccccc1)N(C)C(=O)c1cc2cc(F)ccc2[nH]1.Cc1c(C(=O)N[C@H](C)c2ccccc2)[nH]c2ccc(F)cc12.Cc1ccc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.Cc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.Cc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1Cl
InChIInChI=1S/C18H17ClN2O.2C18H17FN2O.C17H14Cl2N2O.C17H15ClN2O.3C17H15FN2O/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(13-6-4-3-5-7-13)21(2)18(22)17-11-14-10-15(19)8-9-16(14)20-17;1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;1-10-2-3-11(6-14(10)19)9-20-17(22)16-8-12-7-13(18)4-5-15(12)21-16;1-11-2-4-12(5-3-11)10-19-17(21)16-9-13-8-14(18)6-7-15(13)20-16;2*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-11(12-5-3-2-4-6-12)19-17(21)16-9-13-7-8-14(18)10-15(13)20-16/h3-10,12,21H,1-2H3,(H,20,22);3-12,20H,1-2H3;3-10,12,21H,1-2H3,(H,20,22);2-8,21H,9H2,1H3,(H,20,22);2-9,20H,10H2,1H3,(H,19,21);3*2-11,20H,1H3,(H,19,21)/t;2*12-;;;3*11-/m.11..101/s1
InChIKeyBHLKVXSKCAPRAB-XIONHJPJSA-N
XLogP33.03
TPSA350.33 Ų
H-Bond Donors15
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002384.43
LogP ≤ 533.03
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

(5-chloro-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
CID 51002580
(5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
CID 57403900
N-[2-[[2,2-bis(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]amino]-2-oxoethyl]-5-chloro-1H-indole-2-carboxamide
CID 9852806
N-[2-[[2,2-bis(4-fluorophenyl)-5-[4-(2-fluorophenyl)piperidin-1-yl]pentyl]amino]-2-oxoethyl]-5-chloro-1H-indole-2-carboxamide
CID 9939816
5-chloro-N-[2-[[5-[4-(2-fluorophenyl)piperidin-1-yl]-2,2-bis(4-methylphenyl)pentyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 17830481
5-chloro-N-[2-(6,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 46191782
5-chloro-N-[2-(4-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 57551374
5-chloro-N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 57551376
5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 70919132
5-chloro-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 70919152
N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 70920640
6-(3-chloro-4-fluorophenyl)-N-[(2S)-2,5-diaminopentyl]-5-[5-[2-[[(2S)-2,5-diaminopentyl]carbamoyl]-1H-indol-6-yl]-2,4-difluorophenyl]-1H-indole-2-carboxamide
CID 137447286

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide (CID 157350329) is 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide is C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.C[C@H](c1ccccc1)N(C)C(=O)c1cc2cc(F)ccc2[nH]1.Cc1c(C(=O)N[C@H](C)c2ccccc2)[nH]c2ccc(F)cc12.Cc1ccc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.Cc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.Cc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1Cl.
What is the InChIKey of 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide?
The InChIKey is BHLKVXSKCAPRAB-XIONHJPJSA-N. The full InChI is InChI=1S/C18H17ClN2O.2C18H17FN2O.C17H14Cl2N2O.C17H15ClN2O.3C17H15FN2O/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(13-6-4-3-5-7-13)21(2)18(22)17-11-14-10-15(19)8-9-16(14)20-17;1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;1-10-2-3-11(6-14(10)19)9-20-17(22)16-8-12-7-13(18)4-5-15(12)21-16;1-11-2-4-12(5-3-11)10-19-17(21)16-9-13-8-14(18)6-7-15(13)20-16;2*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-11(12-5-3-2-4-6-12)19-17(21)16-9-13-7-8-14(18)10-15(13)20-16/h3-10,12,21H,1-2H3,(H,20,22);3-12,20H,1-2H3;3-10,12,21H,1-2H3,(H,20,22);2-8,21H,9H2,1H3,(H,20,22);2-9,20H,10H2,1H3,(H,19,21);3*2-11,20H,1H3,(H,19,21)/t;2*12-;;;3*11-/m.11..101/s1.
What are the key properties of 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide?
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 2384.43 g/mol, XLogP of 33.03, 24 rotatable bonds, 15 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(4-methylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 157350329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).