N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide

C12H12F2N2O — CID 63931471

IUPACN-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide
SMILESCC(C)C(C#N)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H12F2N2O/c1-7(2)11(6-15)16-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11H,1-2H3,(H,16,17)
InChIKeyDUZXFOAMAKOANW-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.24
Rot. Bonds3

About N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide

N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide (PubChem CID 63931471) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide
PubChem CID63931471
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC NameN-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide
SMILESCC(C)C(C#N)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H12F2N2O/c1-7(2)11(6-15)16-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11H,1-2H3,(H,16,17)
InChIKeyDUZXFOAMAKOANW-UHFFFAOYSA-N
XLogP2.24
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide 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-(1-cyano-2-methylpropyl)-4-fluorobenzamide
CID 63929792
N-(1-cyano-2-methylpropyl)-2,4,6-trifluorobenzamide
CID 65098632
N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide
CID 63931261
3,5-difluoro-N-(3-methylbutan-2-yl)benzamide
CID 78795162
N-(1-cyanopropyl)-3,5-difluorobenzamide
CID 61119274
N-[acetamido(cyano)methyl]-3,5-difluorobenzamide
CID 86031735
methyl (2S)-2-[(3,5-difluorobenzoyl)amino]propanoate
CID 47337377
3,4-dichloro-N-(1-cyano-2-methylpropyl)benzamide
CID 63928748
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363
4-bromo-N-(1-cyano-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 81449651
N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide
CID 65191559
methyl 2-[(3,5-difluorobenzoyl)amino]-3-methylbutanoate
CID 43406016

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide (CID 63931471) is N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide is CC(C)C(C#N)NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide?
The InChIKey is DUZXFOAMAKOANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-7(2)11(6-15)16-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11H,1-2H3,(H,16,17).
What are the key properties of N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide?
N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide has a molecular weight of 238.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide is sourced from PubChem (CID 63931471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).