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

C14H11BrFNO2 — CID 115577900

IUPAC4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(O)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C14H11BrFNO2/c15-10-3-6-12(13(16)7-10)14(19)17-8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKeyAFXDFLINDWPHMA-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.22
Rot. Bonds3

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

4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide (PubChem CID 115577900) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
PubChem CID115577900
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(O)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C14H11BrFNO2/c15-10-3-6-12(13(16)7-10)14(19)17-8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKeyAFXDFLINDWPHMA-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-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium
CID 8533449
2-fluoro-4-hydroxy-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107675567
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107674361
5-[[(4-bromo-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091927
3-[[(4-bromo-2-fluorobenzoyl)amino]methyl]benzoic acid
CID 60894951
N-[(4-bromophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107015007
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
CID 107233860
2-bromo-5-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 52560940
N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
CID 65099122
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide (CID 115577900) is 4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide is O=C(NCc1ccc(O)cc1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
The InChIKey is AFXDFLINDWPHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-10-3-6-12(13(16)7-10)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 4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
4-bromo-2-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 4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 115577900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).