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

C14H12BrNO3 — CID 64793271

IUPAC4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cc2O)cc1O
InChIInChI=1S/C14H12BrNO3/c1-8-2-4-10(7-12(8)17)16-14(19)11-5-3-9(15)6-13(11)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyHCICJAISRVZATA-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.42
Rot. Bonds2

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

4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide (PubChem CID 64793271) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
PubChem CID64793271
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cc2O)cc1O
InChIInChI=1S/C14H12BrNO3/c1-8-2-4-10(7-12(8)17)16-14(19)11-5-3-9(15)6-13(11)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyHCICJAISRVZATA-UHFFFAOYSA-N
XLogP3.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837189
4-bromo-2-hydroxy-N-(4-methylsulfanylphenyl)benzamide
CID 47435970
2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103883202
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
5-bromo-N-(4-bromo-3-methylphenyl)-2-hydroxybenzamide
CID 103602071
4-bromo-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812192
N-(3-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115701467
N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
CID 107937331
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699369

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide (CID 64793271) is 4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Br)cc2O)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide?
The InChIKey is HCICJAISRVZATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-8-2-4-10(7-12(8)17)16-14(19)11-5-3-9(15)6-13(11)18/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of 4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide?
4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide has a molecular weight of 322.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide is sourced from PubChem (CID 64793271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).