5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide

C17H14Cl2N2O2 — CID 113207257

IUPAC5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H14Cl2N2O2/c1-9-5-14(16(23-2)8-12(9)19)21-17(22)15-7-10-6-11(18)3-4-13(10)20-15/h3-8,20H,1-2H3,(H,21,22)
InChIKeyZHSVWHVHWYLJAH-UHFFFAOYSA-N
MW349.22 g/mol
LogP5.04
Rot. Bonds3

About 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide

5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide (PubChem CID 113207257) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide
PubChem CID113207257
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H14Cl2N2O2/c1-9-5-14(16(23-2)8-12(9)19)21-17(22)15-7-10-6-11(18)3-4-13(10)20-15/h3-8,20H,1-2H3,(H,21,22)
InChIKeyZHSVWHVHWYLJAH-UHFFFAOYSA-N
XLogP5.04
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.22
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide
CID 46323222
N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
CID 55556002
N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 9068762
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207244
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide
CID 4587719
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701135
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204787

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide (CID 113207257) is 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide?
The InChIKey is ZHSVWHVHWYLJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-9-5-14(16(23-2)8-12(9)19)21-17(22)15-7-10-6-11(18)3-4-13(10)20-15/h3-8,20H,1-2H3,(H,21,22).
What are the key properties of 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide?
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide has a molecular weight of 349.22 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113207257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).