3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C15H11F4NO — CID 68649813

IUPAC3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)c1cccc(F)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F4NO/c16-13-3-1-2-11(14(20)21)12(13)8-9-4-6-10(7-5-9)15(17,18)19/h1-7H,8H2,(H2,20,21)
InChIKeyBUPMUAIWVLYXGR-UHFFFAOYSA-N
MW297.25 g/mol
LogP3.53
Rot. Bonds3

About 3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide

3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 68649813) has the molecular formula C15H11F4NO and a molecular weight of 297.25 g/mol. Its IUPAC name is 3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID68649813
Molecular FormulaC15H11F4NO
Molecular Weight297.25 g/mol
Exact Mass297.08
IUPAC Name3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)c1cccc(F)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F4NO/c16-13-3-1-2-11(14(20)21)12(13)8-9-4-6-10(7-5-9)15(17,18)19/h1-7H,8H2,(H2,20,21)
InChIKeyBUPMUAIWVLYXGR-UHFFFAOYSA-N
XLogP3.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 159309326
(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 57261811
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
2-benzyl-3-chlorobenzamide
CID 23225157
2-[4-(trifluoromethyl)benzenecarbothioyl]benzamide
CID 87378591
2-(methylaminomethyl)-3-(trifluoromethyl)benzamide
CID 144717479
1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 64714673
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
2-fluorobenzamide;dihydrochloride
CID 22563899
N-(benzenesulfonyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 140992498

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 68649813) is 3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide is NC(=O)c1cccc(F)c1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is BUPMUAIWVLYXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO/c16-13-3-1-2-11(14(20)21)12(13)8-9-4-6-10(7-5-9)15(17,18)19/h1-7H,8H2,(H2,20,21).
What are the key properties of 3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 297.25 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 68649813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).