2-cyano-5-methyl-3-(trifluoromethyl)benzamide

C10H7F3N2O — CID 171031445

IUPAC2-cyano-5-methyl-3-(trifluoromethyl)benzamide
SMILESCc1cc(C(N)=O)c(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C10H7F3N2O/c1-5-2-6(9(15)16)7(4-14)8(3-5)10(11,12)13/h2-3H,1H3,(H2,15,16)
InChIKeyRNHOGWFTWDMWLJ-UHFFFAOYSA-N
MW228.17 g/mol
LogP1.98
Rot. Bonds1

About 2-cyano-5-methyl-3-(trifluoromethyl)benzamide

2-cyano-5-methyl-3-(trifluoromethyl)benzamide (PubChem CID 171031445) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-cyano-5-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-cyano-5-methyl-3-(trifluoromethyl)benzamide
PubChem CID171031445
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2-cyano-5-methyl-3-(trifluoromethyl)benzamide
SMILESCc1cc(C(N)=O)c(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C10H7F3N2O/c1-5-2-6(9(15)16)7(4-14)8(3-5)10(11,12)13/h2-3H,1H3,(H2,15,16)
InChIKeyRNHOGWFTWDMWLJ-UHFFFAOYSA-N
XLogP1.98
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-5-methyl-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-5-methoxy-3-(trifluoromethyl)benzamide
CID 171031275
3-cyano-2-fluoro-4-(trifluoromethyl)benzamide
CID 171015886
ethyl 2-cyano-5-hydroxy-3-(trifluoromethyl)benzoate
CID 134644801
2-(bromomethyl)-4-methyl-6-(trifluoromethyl)benzonitrile
CID 171024870
2-cyano-3-formyl-5-(trifluoromethyl)benzamide
CID 171011794
3-cyano-4-fluoro-2-(trifluoromethyl)benzamide
CID 171015989
4-cyano-5-iodo-2-(trifluoromethyl)benzamide
CID 171024844
4-cyano-3-nitro-5-(trifluoromethyl)benzamide
CID 170995990
2,5-dimethyl-3-(trifluoromethyl)benzoic acid;ethane
CID 177201270
5-methyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119020616
3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 75176105
2-cyano-4-formyl-3-(trifluoromethyl)benzamide
CID 171011932

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-cyano-5-methyl-3-(trifluoromethyl)benzamide (CID 171031445) is 2-cyano-5-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-cyano-5-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-cyano-5-methyl-3-(trifluoromethyl)benzamide is Cc1cc(C(N)=O)c(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 2-cyano-5-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is RNHOGWFTWDMWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-5-2-6(9(15)16)7(4-14)8(3-5)10(11,12)13/h2-3H,1H3,(H2,15,16).
What are the key properties of 2-cyano-5-methyl-3-(trifluoromethyl)benzamide?
2-cyano-5-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 228.17 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 171031445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).