2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C16H13ClF3NO — CID 134792595

IUPAC2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1Cl
InChIInChI=1S/C16H13ClF3NO/c1-21(15(22)13-7-2-3-8-14(13)17)10-11-5-4-6-12(9-11)16(18,19)20/h2-9H,10H2,1H3
InChIKeyRFSGJNPOFCJXOG-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.63
Rot. Bonds3

About 2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 134792595) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID134792595
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC Name2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1Cl
InChIInChI=1S/C16H13ClF3NO/c1-21(15(22)13-7-2-3-8-14(13)17)10-11-5-4-6-12(9-11)16(18,19)20/h2-9H,10H2,1H3
InChIKeyRFSGJNPOFCJXOG-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-N-methyl-N-[[3-(trifluoromethyl)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

N-benzyl-4-chloro-N-cyclohexylbenzamide
CID 24752728
Ssr-504734
CID 9954540
N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
N-Benzyl-2-chloro-benzamide
CID 347073
N-methyl-SSR504734
CID 11704260
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
N-butyl-4-chloro-N-ethylbenzamide
CID 2164652
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
2-(2-Chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline
CID 587557
1-(2-Chloro-5,6-difluoro-3-methylbenzoyl)-4-methylpiperidine
CID 604891
2-Chloro-N-(1-phenylethyl)benzamide
CID 2869527

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 134792595) is 2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is RFSGJNPOFCJXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-21(15(22)13-7-2-3-8-14(13)17)10-11-5-4-6-12(9-11)16(18,19)20/h2-9H,10H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 327.73 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 134792595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).