N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide

C16H12BrClN2O — CID 113206476

IUPACN-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H12BrClN2O/c1-9-6-10(17)2-5-14(9)20-16(21)13-8-19-15-7-11(18)3-4-12(13)15/h2-8,19H,1H3,(H,20,21)
InChIKeyZILXKUIUJQPWCO-UHFFFAOYSA-N
MW363.64 g/mol
LogP5.14
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide

N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide (PubChem CID 113206476) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide
PubChem CID113206476
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC NameN-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H12BrClN2O/c1-9-6-10(17)2-5-14(9)20-16(21)13-8-19-15-7-11(18)3-4-12(13)15/h2-8,19H,1H3,(H,20,21)
InChIKeyZILXKUIUJQPWCO-UHFFFAOYSA-N
XLogP5.14
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.64
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206671
6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide
CID 113206499
N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205698
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
CID 24708773
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-3-carboxamide
CID 113206502
2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 113206465
N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide
CID 3480421

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide (CID 113206476) is N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide is Cc1cc(Br)ccc1NC(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide?
The InChIKey is ZILXKUIUJQPWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-9-6-10(17)2-5-14(9)20-16(21)13-8-19-15-7-11(18)3-4-12(13)15/h2-8,19H,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide?
N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide has a molecular weight of 363.64 g/mol, XLogP of 5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide is sourced from PubChem (CID 113206476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).