2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide

C14H11BrFNO2 — CID 52560940

IUPAC2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(O)cc1)c1cc(F)ccc1Br
InChIInChI=1S/C14H11BrFNO2/c15-13-6-3-10(16)7-12(13)14(19)17-8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKeyXCIICHWJYAEWSB-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.22
Rot. Bonds3

About 2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide

2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide (PubChem CID 52560940) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
PubChem CID52560940
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(O)cc1)c1cc(F)ccc1Br
InChIInChI=1S/C14H11BrFNO2/c15-13-6-3-10(16)7-12(13)14(19)17-8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKeyXCIICHWJYAEWSB-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

Analyze 2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
2-bromo-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292162
2-bromo-N-[(4-carbamothioylphenyl)methyl]-5-fluorobenzamide
CID 62309631
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900
N-[(4-bromophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107015007
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide (CID 52560940) is 2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide is O=C(NCc1ccc(O)cc1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
The InChIKey is XCIICHWJYAEWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-13-6-3-10(16)7-12(13)14(19)17-8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,17,19).
What are the key properties of 2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide 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 2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 52560940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).