N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide

C17H15FN2O — CID 62315615

IUPACN-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(F)c(C#N)c2)c(C)c1
InChIInChI=1S/C17H15FN2O/c1-10-6-11(2)16(12(3)7-10)17(21)20-14-4-5-15(18)13(8-14)9-19/h4-8H,1-3H3,(H,20,21)
InChIKeyOPDSJTXQZBXMNP-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.87
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide

N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide (PubChem CID 62315615) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
PubChem CID62315615
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(F)c(C#N)c2)c(C)c1
InChIInChI=1S/C17H15FN2O/c1-10-6-11(2)16(12(3)7-10)17(21)20-14-4-5-15(18)13(8-14)9-19/h4-8H,1-3H3,(H,20,21)
InChIKeyOPDSJTXQZBXMNP-UHFFFAOYSA-N
XLogP3.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide 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

N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide
CID 62315619
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 115745574
N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 62316843
2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide
CID 81004502
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012
N-(3-cyano-4-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 62340831
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(3-cyano-4-fluorophenyl)-1,2,4-trimethyl-5-oxaldehydoylpyrrole-3-carboxamide
CID 139551627
4-acetyl-N-(3-cyano-4-fluorophenyl)-3-fluoro-1,5-dimethylpyrrole-2-carboxamide
CID 134268466
N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
CID 62316846
4-bromo-N-(3-cyano-4-fluorophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzamide
CID 169097118

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide (CID 62315615) is N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc(F)c(C#N)c2)c(C)c1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide?
The InChIKey is OPDSJTXQZBXMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-6-11(2)16(12(3)7-10)17(21)20-14-4-5-15(18)13(8-14)9-19/h4-8H,1-3H3,(H,20,21).
What are the key properties of N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide?
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide has a molecular weight of 282.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 62315615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).