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

C15H13ClFNO2 — CID 107231671

IUPAC3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c16-13-7-12(5-6-14(13)17)15(20)18-8-10-1-3-11(9-19)4-2-10/h1-7,19H,8-9H2,(H,18,20)
InChIKeyBOCGPHOTPYULAJ-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.90
Rot. Bonds4

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

3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 107231671) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID107231671
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c16-13-7-12(5-6-14(13)17)15(20)18-8-10-1-3-11(9-19)4-2-10/h1-7,19H,8-9H2,(H,18,20)
InChIKeyBOCGPHOTPYULAJ-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]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-hydroxyphenyl)methyl]benzamide
CID 115731912
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
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
CID 107075151
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (CID 107231671) is 3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(CO)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is BOCGPHOTPYULAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-13-7-12(5-6-14(13)17)15(20)18-8-10-1-3-11(9-19)4-2-10/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of 3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 293.73 g/mol, XLogP of 2.90, 4 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-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 107231671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).