N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide

C15H10BrClN2O — CID 81024878

IUPACN-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H10BrClN2O/c16-12-8-11(17)3-4-13(12)19-15(20)10-2-1-9-5-6-18-14(9)7-10/h1-8,18H,(H,19,20)
InChIKeyFWLWCSJNRSZGRE-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.84
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide

N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide (PubChem CID 81024878) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide
PubChem CID81024878
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC NameN-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H10BrClN2O/c16-12-8-11(17)3-4-13(12)19-15(20)10-2-1-9-5-6-18-14(9)7-10/h1-8,18H,(H,19,20)
InChIKeyFWLWCSJNRSZGRE-UHFFFAOYSA-N
XLogP4.84
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-chlorophenyl)-3-chloro-4-hydroxybenzamide
CID 81271353
N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide
CID 62415637
N-(2-bromo-4-chlorophenyl)-3-hydroxy-4-methylbenzamide
CID 81271106
N-(2-bromo-4-chlorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 81275140
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184
N-[2-(hydroxymethyl)phenyl]-1H-indole-6-carboxamide
CID 63748080
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
N-(2-chloro-4-hydroxyphenyl)-1H-indole-5-carboxamide
CID 64786778
N-(2-chloro-6-methylphenyl)-1H-indole-6-carboxamide
CID 66255832
N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
CID 116795223
N-(2-bromo-4-chlorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103774923
N-(2-bromo-4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81024583

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide (CID 81024878) is N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide is O=C(Nc1ccc(Cl)cc1Br)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide?
The InChIKey is FWLWCSJNRSZGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-12-8-11(17)3-4-13(12)19-15(20)10-2-1-9-5-6-18-14(9)7-10/h1-8,18H,(H,19,20).
What are the key properties of N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide?
N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide has a molecular weight of 349.62 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 81024878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).