N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide

C17H15BrN2O — CID 113207145

IUPACN-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3ccc(Br)c(C)c3)cc2c1
InChIInChI=1S/C17H15BrN2O/c1-10-3-6-15-12(7-10)9-16(20-15)17(21)19-13-4-5-14(18)11(2)8-13/h3-9,20H,1-2H3,(H,19,21)
InChIKeyVGUBGVRQFIHNRH-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.80
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide

N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide (PubChem CID 113207145) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
PubChem CID113207145
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC NameN-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3ccc(Br)c(C)c3)cc2c1
InChIInChI=1S/C17H15BrN2O/c1-10-3-6-15-12(7-10)9-16(20-15)17(21)19-13-4-5-14(18)11(2)8-13/h3-9,20H,1-2H3,(H,19,21)
InChIKeyVGUBGVRQFIHNRH-UHFFFAOYSA-N
XLogP4.80
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 46550602
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31302300
N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide
CID 144812274
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207178
5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide
CID 107581689
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide (CID 113207145) is N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)Nc3ccc(Br)c(C)c3)cc2c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide?
The InChIKey is VGUBGVRQFIHNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-10-3-6-15-12(7-10)9-16(20-15)17(21)19-13-4-5-14(18)11(2)8-13/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide?
N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 4.80, 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-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113207145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).