N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide

C15H12ClF2NO — CID 78771235

IUPACN-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H12ClF2NO/c1-19(9-10-3-2-4-11(16)7-10)15(20)13-6-5-12(17)8-14(13)18/h2-8H,9H2,1H3
InChIKeyJFTYGBYRLRFHKI-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.89
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide

N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide (PubChem CID 78771235) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
PubChem CID78771235
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC NameN-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H12ClF2NO/c1-19(9-10-3-2-4-11(16)7-10)15(20)13-6-5-12(17)8-14(13)18/h2-8H,9H2,1H3
InChIKeyJFTYGBYRLRFHKI-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 61118192
2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
CID 60650523
5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 103296048
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104928615
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
CID 102705155

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide (CID 78771235) is N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide is CN(Cc1cccc(Cl)c1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide?
The InChIKey is JFTYGBYRLRFHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c1-19(9-10-3-2-4-11(16)7-10)15(20)13-6-5-12(17)8-14(13)18/h2-8H,9H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide?
N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide has a molecular weight of 295.72 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 78771235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).