2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide

C13H14F2N2O — CID 115173428

IUPAC2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)CC#N)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2N2O/c1-13(2,8-17-12(18)5-6-16)10-7-9(14)3-4-11(10)15/h3-4,7H,5,8H2,1-2H3,(H,17,18)
InChIKeyQVMAVWPDTGATOG-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.27
Rot. Bonds4

About 2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide

2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide (PubChem CID 115173428) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide
PubChem CID115173428
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)CC#N)c1cc(F)ccc1F
InChIInChI=1S/C13H14F2N2O/c1-13(2,8-17-12(18)5-6-16)10-7-9(14)3-4-11(10)15/h3-4,7H,5,8H2,1-2H3,(H,17,18)
InChIKeyQVMAVWPDTGATOG-UHFFFAOYSA-N
XLogP2.27
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide 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-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173418
2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173409
2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
CID 115173415
N-[2-(3-bromophenyl)-2-methylpropyl]-2-cyanoacetamide
CID 115173449
N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 115263650
2-cyano-N-[(4-fluorophenyl)methyl]acetamide
CID 4183587
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
N-(2-amino-2-methylpropyl)-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119627760
N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176113
1-cyano-N-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]formamide
CID 115172758
2-amino-2-(2,5-difluorophenyl)propanenitrile
CID 16785195
3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide
CID 115174062

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide (CID 115173428) is 2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide is CC(C)(CNC(=O)CC#N)c1cc(F)ccc1F.
What is the InChIKey of 2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide?
The InChIKey is QVMAVWPDTGATOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-13(2,8-17-12(18)5-6-16)10-7-9(14)3-4-11(10)15/h3-4,7H,5,8H2,1-2H3,(H,17,18).
What are the key properties of 2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide?
2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide has a molecular weight of 252.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 115173428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).