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

C14H11BrClNO2 — CID 113257915

IUPAC2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H11BrClNO2/c15-12-7-10(16)5-6-11(12)14(19)17-8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,17,19)
InChIKeyKEDLFXKBRJCEDX-UHFFFAOYSA-N
MW340.60 g/mol
LogP3.74
Rot. Bonds3

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

2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide (PubChem CID 113257915) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
PubChem CID113257915
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H11BrClNO2/c15-12-7-10(16)5-6-11(12)14(19)17-8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,17,19)
InChIKeyKEDLFXKBRJCEDX-UHFFFAOYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 103765522
4-chloro-2-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 54941047
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103763452
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-bromo-4-chlorobenzamide
CID 103764250
2-bromo-N-[(3-carbamothioylphenyl)methyl]-4-chlorobenzamide
CID 107987788
2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113257865
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
CID 113257506
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide (CID 113257915) is 2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide is O=C(NCc1ccccc1O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide?
The InChIKey is KEDLFXKBRJCEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c15-12-7-10(16)5-6-11(12)14(19)17-8-9-3-1-2-4-13(9)18/h1-7,18H,8H2,(H,17,19).
What are the key properties of 2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide?
2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide has a molecular weight of 340.60 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 113257915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).