N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide

C16H13F4NO — CID 112792620

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F4NO/c1-21(10-11-6-8-12(17)9-7-11)15(22)13-4-2-3-5-14(13)16(18,19)20/h2-9H,10H2,1H3
InChIKeyGMMBWTOFOZNGJB-UHFFFAOYSA-N
MW311.28 g/mol
LogP4.12
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 112792620) has the molecular formula C16H13F4NO and a molecular weight of 311.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID112792620
Molecular FormulaC16H13F4NO
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F4NO/c1-21(10-11-6-8-12(17)9-7-11)15(22)13-4-2-3-5-14(13)16(18,19)20/h2-9H,10H2,1H3
InChIKeyGMMBWTOFOZNGJB-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 112792625
N-[(4-fluorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134057227
N-(2-bromopropyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 80665083
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883708
2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55555108
N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
CID 52764442
1-[(4-fluorophenyl)methyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylurea
CID 60614116
2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62176798
N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 95787037

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide (CID 112792620) is N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide is CN(Cc1ccc(F)cc1)C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is GMMBWTOFOZNGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO/c1-21(10-11-6-8-12(17)9-7-11)15(22)13-4-2-3-5-14(13)16(18,19)20/h2-9H,10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 311.28 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 112792620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).