4-cyano-3-(trifluoromethyl)benzamide

C9H5F3N2O — CID 22284887

IUPAC4-cyano-3-(trifluoromethyl)benzamide
SMILESN#Cc1ccc(C(N)=O)cc1C(F)(F)F
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)7-3-5(8(14)15)1-2-6(7)4-13/h1-3H,(H2,14,15)
InChIKeyUXHSMCYFUSDYHC-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.68
Rot. Bonds1

About 4-cyano-3-(trifluoromethyl)benzamide

4-cyano-3-(trifluoromethyl)benzamide (PubChem CID 22284887) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 4-cyano-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-cyano-3-(trifluoromethyl)benzamide
PubChem CID22284887
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name4-cyano-3-(trifluoromethyl)benzamide
SMILESN#Cc1ccc(C(N)=O)cc1C(F)(F)F
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)7-3-5(8(14)15)1-2-6(7)4-13/h1-3H,(H2,14,15)
InChIKeyUXHSMCYFUSDYHC-UHFFFAOYSA-N
XLogP1.68
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-3-(trifluoromethyl)benzoic acid
CID 91882481
3,4-bis(trifluoromethyl)benzamide;hydrochloride
CID 174566583
4-[[2,3-bis[cyano-[4-cyano-3-(trifluoromethyl)phenyl]methylidene]cyclopropylidene]-cyanomethyl]-2-(trifluoromethyl)benzonitrile
CID 162523472
4-(2-phenylacetyl)-2-(trifluoromethyl)benzonitrile
CID 141303846
4-cyano-3-(trifluoromethyl)benzamide;3-[1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-oxopropanoic acid
CID 87638147
3-amino-4-(trifluoromethyl)benzamide
CID 70566293
3-cyano-4-fluorobenzamide
CID 68505906
4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide
CID 170999511
4-cyano-3-nitro-5-(trifluoromethyl)benzamide
CID 170995990
4-methyl-2-(trifluoromethyl)benzonitrile
CID 2775597
4-(hydroxyamino)-2-(trifluoromethyl)benzonitrile
CID 59235207
1-[4-cyano-3-(trifluoromethyl)phenyl]-1-methylthiourea
CID 88904021

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-cyano-3-(trifluoromethyl)benzamide (CID 22284887) is 4-cyano-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-cyano-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-cyano-3-(trifluoromethyl)benzamide is N#Cc1ccc(C(N)=O)cc1C(F)(F)F.
What is the InChIKey of 4-cyano-3-(trifluoromethyl)benzamide?
The InChIKey is UXHSMCYFUSDYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)7-3-5(8(14)15)1-2-6(7)4-13/h1-3H,(H2,14,15).
What are the key properties of 4-cyano-3-(trifluoromethyl)benzamide?
4-cyano-3-(trifluoromethyl)benzamide has a molecular weight of 214.15 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 22284887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).