N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide

C16H12BrClN2O — CID 113205923

IUPACN-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide
SMILESCc1cc(NC(=O)c2c[nH]c3ccc(Cl)cc23)ccc1Br
InChIInChI=1S/C16H12BrClN2O/c1-9-6-11(3-4-14(9)17)20-16(21)13-8-19-15-5-2-10(18)7-12(13)15/h2-8,19H,1H3,(H,20,21)
InChIKeyRSYQTXBPPXEWRV-UHFFFAOYSA-N
MW363.64 g/mol
LogP5.14
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide

N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide (PubChem CID 113205923) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide
PubChem CID113205923
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC NameN-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide
SMILESCc1cc(NC(=O)c2c[nH]c3ccc(Cl)cc23)ccc1Br
InChIInChI=1S/C16H12BrClN2O/c1-9-6-11(3-4-14(9)17)20-16(21)13-8-19-15-5-2-10(18)7-12(13)15/h2-8,19H,1H3,(H,20,21)
InChIKeyRSYQTXBPPXEWRV-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

2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
N-(4-bromo-3-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 28532000
5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
CID 63117335
5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205929
N-(4-bromo-3-methylphenyl)-5-chloro-2-methoxybenzamide
CID 2198688
N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205698
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113205913
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39850158
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide (CID 113205923) is N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide is Cc1cc(NC(=O)c2c[nH]c3ccc(Cl)cc23)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide?
The InChIKey is RSYQTXBPPXEWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-9-6-11(3-4-14(9)17)20-16(21)13-8-19-15-5-2-10(18)7-12(13)15/h2-8,19H,1H3,(H,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide?
N-(4-bromo-3-methylphenyl)-5-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-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide is sourced from PubChem (CID 113205923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).