2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C15H10ClF4NO — CID 14772555

IUPAC2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C15H10ClF4NO/c16-11-2-1-3-12(17)13(11)14(22)21-8-9-4-6-10(7-5-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyJPFILWFZLUXWFM-UHFFFAOYSA-N
MW331.70 g/mol
LogP4.43
Rot. Bonds3

About 2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 14772555) has the molecular formula C15H10ClF4NO and a molecular weight of 331.70 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID14772555
Molecular FormulaC15H10ClF4NO
Molecular Weight331.70 g/mol
Exact Mass331.04
IUPAC Name2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C15H10ClF4NO/c16-11-2-1-3-12(17)13(11)14(22)21-8-9-4-6-10(7-5-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyJPFILWFZLUXWFM-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.70
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
2,6-dichloro-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 175698312
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992254
2-chloro-6-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736211
2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide
CID 110445798
5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091399
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
CID 114383783
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 14772555) is 2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is JPFILWFZLUXWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4NO/c16-11-2-1-3-12(17)13(11)14(22)21-8-9-4-6-10(7-5-9)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of 2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 331.70 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 14772555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).