4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide

C14H12BrNO3 — CID 115598731

IUPAC4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1ccc(Br)cc1O
InChIInChI=1S/C14H12BrNO3/c15-10-5-6-11(13(18)7-10)14(19)16-8-9-3-1-2-4-12(9)17/h1-7,17-18H,8H2,(H,16,19)
InChIKeyAIGDEDBDXCWQLA-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.79
Rot. Bonds3

About 4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide

4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide (PubChem CID 115598731) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
PubChem CID115598731
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1ccc(Br)cc1O
InChIInChI=1S/C14H12BrNO3/c15-10-5-6-11(13(18)7-10)14(19)16-8-9-3-1-2-4-12(9)17/h1-7,17-18H,8H2,(H,16,19)
InChIKeyAIGDEDBDXCWQLA-UHFFFAOYSA-N
XLogP2.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598912
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113257915
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
CID 47436066
2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 62534197
4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide
CID 76922753
4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55837884
4-bromo-N-[(4-cyanophenyl)methyl]-2-hydroxybenzamide
CID 47466194
5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 35979072

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide (CID 115598731) is 4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide is O=C(NCc1ccccc1O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide?
The InChIKey is AIGDEDBDXCWQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c15-10-5-6-11(13(18)7-10)14(19)16-8-9-3-1-2-4-12(9)17/h1-7,17-18H,8H2,(H,16,19).
What are the key properties of 4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide?
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide has a molecular weight of 322.16 g/mol, XLogP of 2.79, 3 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-[(2-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 115598731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).