3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide

C14H11ClFNO2 — CID 115731912

IUPAC3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(O)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-12-7-10(3-6-13(12)16)14(19)17-8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKeyGKVHXYAUAWPNGW-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.11
Rot. Bonds3

About 3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide

3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide (PubChem CID 115731912) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
PubChem CID115731912
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(O)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-12-7-10(3-6-13(12)16)14(19)17-8-9-1-4-11(18)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKeyGKVHXYAUAWPNGW-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-4-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

3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107028470
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
CID 107075151
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069
3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115732894
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide (CID 115731912) is 3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide is O=C(NCc1ccc(O)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
The InChIKey is GKVHXYAUAWPNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-12-7-10(3-6-13(12)16)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 3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide?
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide has a molecular weight of 279.70 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 115731912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).