4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide

C14H11BrFNO2 — CID 103830502

IUPAC4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(Br)c(O)c1
InChIInChI=1S/C14H11BrFNO2/c15-12-5-4-10(7-13(12)18)14(19)17-8-9-2-1-3-11(16)6-9/h1-7,18H,8H2,(H,17,19)
InChIKeyRNEFDRMSGPJXQH-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.22
Rot. Bonds3

About 4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide

4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide (PubChem CID 103830502) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
PubChem CID103830502
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(Br)c(O)c1
InChIInChI=1S/C14H11BrFNO2/c15-12-5-4-10(7-13(12)18)14(19)17-8-9-2-1-3-11(16)6-9/h1-7,18H,8H2,(H,17,19)
InChIKeyRNEFDRMSGPJXQH-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 113244666
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
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N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
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N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
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4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
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3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
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4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
CID 103830357
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
N-[(3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103612084
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 60764843
3-fluoro-N-[(3-fluorophenyl)methyl]-4-(3-hydroxy-2-pyridinyl)benzamide
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CID 10293185

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide (CID 103830502) is 4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide is O=C(NCc1cccc(F)c1)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide?
The InChIKey is RNEFDRMSGPJXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-12-5-4-10(7-13(12)18)14(19)17-8-9-2-1-3-11(16)6-9/h1-7,18H,8H2,(H,17,19).
What are the key properties of 4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide?
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide is sourced from PubChem (CID 103830502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).