2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide

C14H12BrNO2 — CID 837189

IUPAC2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2Br)cc1O
InChIInChI=1S/C14H12BrNO2/c1-9-6-7-10(8-13(9)17)16-14(18)11-4-2-3-5-12(11)15/h2-8,17H,1H3,(H,16,18)
InChIKeyGWETYQIOLRPHKT-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.72
Rot. Bonds2

About 2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide

2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide (PubChem CID 837189) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
PubChem CID837189
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2Br)cc1O
InChIInChI=1S/C14H12BrNO2/c1-9-6-7-10(8-13(9)17)16-14(18)11-4-2-3-5-12(11)15/h2-8,17H,1H3,(H,16,18)
InChIKeyGWETYQIOLRPHKT-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43134004
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793271
2-amino-N-(3-hydroxy-4-methylphenyl)-3-methylbenzamide
CID 107699257
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708
N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
CID 112725117
3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide
CID 107699321

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide (CID 837189) is 2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2Br)cc1O.
What is the InChIKey of 2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide?
The InChIKey is GWETYQIOLRPHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-9-6-7-10(8-13(9)17)16-14(18)11-4-2-3-5-12(11)15/h2-8,17H,1H3,(H,16,18).
What are the key properties of 2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide?
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide has a molecular weight of 306.16 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide is sourced from PubChem (CID 837189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).