3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide

C19H15F3N4O — CID 130283803

IUPAC3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(CNc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N4O/c1-12(11-25-15-5-2-13(9-23)3-6-15)18(27)26-16-7-4-14(10-24)17(8-16)19(20,21)22/h2-8,12,25H,11H2,1H3,(H,26,27)
InChIKeyQQBISZARRTVMGL-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.14
Rot. Bonds5

About 3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide

3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide (PubChem CID 130283803) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide
PubChem CID130283803
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(CNc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N4O/c1-12(11-25-15-5-2-13(9-23)3-6-15)18(27)26-16-7-4-14(10-24)17(8-16)19(20,21)22/h2-8,12,25H,11H2,1H3,(H,26,27)
InChIKeyQQBISZARRTVMGL-UHFFFAOYSA-N
XLogP4.14
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(3,4-dimethylphenyl)propanediamide
CID 228389
Gsk232420A
CID 11472813
4'-Cyano-3'-(trifluoromethyl)acetanilide
CID 2736741
N-{4-[cyano(phenyl)methyl]phenyl}acetamide
CID 2832029
(2S)-3-(4-cyano-N-methyl-3-phenylanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 122650648
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(N-(4-fluorophenyl)anilino)-2-hydroxy-2-methylpropanamide
CID 122650700
1-Benzyl-3-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711265
N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide
CID 11149469
(E)-2-cyano-N-(4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 2365263
(E)-2-cyano-N-(2-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 2478939
N-[4-[1-cyano-2-[4-[2-cyanoethyl(methyl)amino]phenyl]ethenyl]phenyl]acetamide
CID 305299
4-Acetamido-2-methylbenzonitrile
CID 2737380

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide (CID 130283803) is 3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide is CC(CNc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The InChIKey is QQBISZARRTVMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-12(11-25-15-5-2-13(9-23)3-6-15)18(27)26-16-7-4-14(10-24)17(8-16)19(20,21)22/h2-8,12,25H,11H2,1H3,(H,26,27).
What are the key properties of 3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide has a molecular weight of 372.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanoanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 130283803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).