2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide

C15H9F6NO — CID 173180452

IUPAC2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F
InChIInChI=1S/C15H9F6NO/c16-14(17,18)9-4-1-3-8(7-9)10-5-2-6-11(13(22)23)12(10)15(19,20)21/h1-7H,(H2,22,23)
InChIKeyDCLDIKBCLYFQTH-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.49
Rot. Bonds2

About 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide

2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 173180452) has the molecular formula C15H9F6NO and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID173180452
Molecular FormulaC15H9F6NO
Molecular Weight333.23 g/mol
Exact Mass333.06
IUPAC Name2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F
InChIInChI=1S/C15H9F6NO/c16-14(17,18)9-4-1-3-8(7-9)10-5-2-6-11(13(22)23)12(10)15(19,20)21/h1-7H,(H2,22,23)
InChIKeyDCLDIKBCLYFQTH-UHFFFAOYSA-N
XLogP4.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
3-(cyclobuten-1-yl)-2-(trifluoromethyl)benzamide
CID 142796145
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylic acid
CID 166784470
3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
CID 172648845
2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
CID 22014955
3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 118851557
2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 10852098

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide (CID 173180452) is 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide is NC(=O)c1cccc(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DCLDIKBCLYFQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6NO/c16-14(17,18)9-4-1-3-8(7-9)10-5-2-6-11(13(22)23)12(10)15(19,20)21/h1-7H,(H2,22,23).
What are the key properties of 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide?
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 333.23 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 173180452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).