3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide

C14H8F5NO — CID 172648845

IUPAC3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cc(F)c(F)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H8F5NO/c15-11-6-8(13(20)21)5-10(12(11)16)7-2-1-3-9(4-7)14(17,18)19/h1-6H,(H2,20,21)
InChIKeyQCEYNZSDWRDZPS-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.75
Rot. Bonds2

About 3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide

3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 172648845) has the molecular formula C14H8F5NO and a molecular weight of 301.21 g/mol. Its IUPAC name is 3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID172648845
Molecular FormulaC14H8F5NO
Molecular Weight301.21 g/mol
Exact Mass301.05
IUPAC Name3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cc(F)c(F)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H8F5NO/c15-11-6-8(13(20)21)5-10(12(11)16)7-2-1-3-9(4-7)14(17,18)19/h1-6H,(H2,20,21)
InChIKeyQCEYNZSDWRDZPS-UHFFFAOYSA-N
XLogP3.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137
3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide
CID 122422474
3-fluoro-4-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620216
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide
CID 172648851
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide
CID 172648842
2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol
CID 134627781

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide (CID 172648845) is 3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide is NC(=O)c1cc(F)c(F)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QCEYNZSDWRDZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO/c15-11-6-8(13(20)21)5-10(12(11)16)7-2-1-3-9(4-7)14(17,18)19/h1-6H,(H2,20,21).
What are the key properties of 3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide?
3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 301.21 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 172648845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).