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

C15H8F4N2O — CID 833847

IUPAC4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H8F4N2O/c16-13-6-9(8-20)4-5-12(13)14(22)21-11-3-1-2-10(7-11)15(17,18)19/h1-7H,(H,21,22)
InChIKeyUBSKXCOGDZHJGW-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.97
Rot. Bonds2

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

4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 833847) has the molecular formula C15H8F4N2O and a molecular weight of 308.23 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID833847
Molecular FormulaC15H8F4N2O
Molecular Weight308.23 g/mol
Exact Mass308.06
IUPAC Name4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H8F4N2O/c16-13-6-9(8-20)4-5-12(13)14(22)21-11-3-1-2-10(7-11)15(17,18)19/h1-7H,(H,21,22)
InChIKeyUBSKXCOGDZHJGW-UHFFFAOYSA-N
XLogP3.97
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4542565
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 121264564
2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 55529533
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16552434
N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109164420
2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 40822561
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4830603
4-cyano-N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 2995098
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide (CID 833847) is 4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide is N#Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UBSKXCOGDZHJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O/c16-13-6-9(8-20)4-5-12(13)14(22)21-11-3-1-2-10(7-11)15(17,18)19/h1-7H,(H,21,22).
What are the key properties of 4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide?
4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 308.23 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 833847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).