4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide

C14H11BrFNO2 — CID 47436066

IUPAC4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(Br)cc1O
InChIInChI=1S/C14H11BrFNO2/c15-10-4-5-12(13(18)7-10)14(19)17-8-9-2-1-3-11(16)6-9/h1-7,18H,8H2,(H,17,19)
InChIKeyBJCXQZVFQWYHMT-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.22
Rot. Bonds3

About 4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide

4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide (PubChem CID 47436066) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
PubChem CID47436066
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(Br)cc1O
InChIInChI=1S/C14H11BrFNO2/c15-10-4-5-12(13(18)7-10)14(19)17-8-9-2-1-3-11(16)6-9/h1-7,18H,8H2,(H,17,19)
InChIKeyBJCXQZVFQWYHMT-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

4-bromo-N-[(3-fluorophenyl)methyl]-2-sulfanylbenzamide
CID 107022076
N-[(4-bromophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107015007
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941
N-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid
CID 107013440
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077
5-bromo-2-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292159
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
CID 103830502
1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898606
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide (CID 47436066) is 4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide is O=C(NCc1cccc(F)c1)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide?
The InChIKey is BJCXQZVFQWYHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-10-4-5-12(13(18)7-10)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]-2-hydroxybenzamide?
4-bromo-N-[(3-fluorophenyl)methyl]-2-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]-2-hydroxybenzamide is sourced from PubChem (CID 47436066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).