3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

C15H13ClFNO — CID 78771179

IUPAC3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClFNO/c1-18(10-11-5-7-14(17)8-6-11)15(19)12-3-2-4-13(16)9-12/h2-9H,10H2,1H3
InChIKeyFQIRECKEZXXEOD-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.75
Rot. Bonds3

About 3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 78771179) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID78771179
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClFNO/c1-18(10-11-5-7-14(17)8-6-11)15(19)12-3-2-4-13(16)9-12/h2-9H,10H2,1H3
InChIKeyFQIRECKEZXXEOD-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide 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

N-benzyl-4-chloro-N-cyclohexylbenzamide
CID 24752728
N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-chlorobenzamide
CID 346668
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
1-(3-Chlorobenzoyl)piperazine
CID 1074765
N-Benzyl-2-chloro-benzamide
CID 347073
4-Chloro-N,N-dimethylbenzamide
CID 84180
Benzamide derivative 11
CID 41306362
Benzamide derivative 8
CID 118607347
1-(4-Chlorobenzoyl)-4-methylpiperazine
CID 792974

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (CID 78771179) is 3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(F)cc1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is FQIRECKEZXXEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-18(10-11-5-7-14(17)8-6-11)15(19)12-3-2-4-13(16)9-12/h2-9H,10H2,1H3.
What are the key properties of 3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 277.73 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 78771179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).