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

C16H12ClF4NO2 — CID 55581074

IUPAC2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClF4NO2/c1-22(15(23)14-12(17)3-2-4-13(14)18)9-10-5-7-11(8-6-10)24-16(19,20)21/h2-8H,9H2,1H3
InChIKeyZNWURJCJTGZHPX-UHFFFAOYSA-N
MW361.72 g/mol
LogP4.65
Rot. Bonds4

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

2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 55581074) has the molecular formula C16H12ClF4NO2 and a molecular weight of 361.72 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID55581074
Molecular FormulaC16H12ClF4NO2
Molecular Weight361.72 g/mol
Exact Mass361.05
IUPAC Name2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClF4NO2/c1-22(15(23)14-12(17)3-2-4-13(14)18)9-10-5-7-11(8-6-10)24-16(19,20)21/h2-8H,9H2,1H3
InChIKeyZNWURJCJTGZHPX-UHFFFAOYSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.72
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
2,4-difluoro-N-[4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-oxobutyl]benzamide
CID 37492052
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 134003826
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672619
3-[[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]amino]propanoic acid
CID 122019413
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide
CID 134044870
N,1-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 86924886
4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 38545760
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 34845026
N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55761591
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 112792625

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 55581074) is 2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is ZNWURJCJTGZHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4NO2/c1-22(15(23)14-12(17)3-2-4-13(14)18)9-10-5-7-11(8-6-10)24-16(19,20)21/h2-8H,9H2,1H3.
What are the key properties of 2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 361.72 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55581074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).