N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide

C26H25ClN2O — CID 20888437

IUPACN-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
SMILESCc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCc4cccc(Cl)c4)ccc32)c1
InChIInChI=1S/C26H25ClN2O/c1-17-6-4-8-21(12-17)16-29-19(3)18(2)24-14-22(10-11-25(24)29)26(30)28-15-20-7-5-9-23(27)13-20/h4-14H,15-16H2,1-3H3,(H,28,30)
InChIKeyLUNTTXPTAYAEKC-UHFFFAOYSA-N
MW416.95 g/mol
LogP6.20
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide

N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide (PubChem CID 20888437) has the molecular formula C26H25ClN2O and a molecular weight of 416.95 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
PubChem CID20888437
Molecular FormulaC26H25ClN2O
Molecular Weight416.95 g/mol
Exact Mass416.17
IUPAC NameN-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
SMILESCc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCc4cccc(Cl)c4)ccc32)c1
InChIInChI=1S/C26H25ClN2O/c1-17-6-4-8-21(12-17)16-29-19(3)18(2)24-14-22(10-11-25(24)29)26(30)28-15-20-7-5-9-23(27)13-20/h4-14H,15-16H2,1-3H3,(H,28,30)
InChIKeyLUNTTXPTAYAEKC-UHFFFAOYSA-N
XLogP6.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.95
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 20940057
N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20876874
2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888438
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940314
2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide
CID 20888433
N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940312
2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888436
2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane
CID 144948514
2-[4-[[2,3-dimethyl-5-[(3-methylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[(4-methylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[(4-phenylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(3-methoxyphenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(4-methoxyphenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 158881479
methyl 2-[2-chloro-5-[[2,3-dimethyl-5-[(3-propan-2-ylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenoxy]acetate
CID 144948640
1-benzyl-2,3-dimethyl-N-(3-methylbutyl)indole-5-carboxamide
CID 20940136

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide (CID 20888437) is N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide is Cc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCc4cccc(Cl)c4)ccc32)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The InChIKey is LUNTTXPTAYAEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O/c1-17-6-4-8-21(12-17)16-29-19(3)18(2)24-14-22(10-11-25(24)29)26(30)28-15-20-7-5-9-23(27)13-20/h4-14H,15-16H2,1-3H3,(H,28,30).
What are the key properties of N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide has a molecular weight of 416.95 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 20888437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).