N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C16H14F3NO2 — CID 52569662

IUPACN-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C16H14F3NO2/c1-20(15(21)13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)22-16(17,18)19/h2-10H,11H2,1H3
InChIKeyPNKDYHPDFPDSRE-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.86
Rot. Bonds4

About N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 52569662) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID52569662
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC NameN-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C16H14F3NO2/c1-20(15(21)13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)22-16(17,18)19/h2-10H,11H2,1H3
InChIKeyPNKDYHPDFPDSRE-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55761591
N,1-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 86924886
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
N-benzyl-N-propyl-4-(trifluoromethoxy)benzamide
CID 71026261
3-[[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]amino]propanoic acid
CID 122019413
4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 38545760
2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55581074
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 134003826
3-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 60988631
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672619
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 55570707

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 52569662) is N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is PNKDYHPDFPDSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-20(15(21)13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)22-16(17,18)19/h2-10H,11H2,1H3.
What are the key properties of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 309.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 52569662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).