2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide

C10H8F2N2O — CID 168521532

IUPAC2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
SMILESCc1cc(F)c(NC(=O)CC#N)c(F)c1
InChIInChI=1S/C10H8F2N2O/c1-6-4-7(11)10(8(12)5-6)14-9(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)
InChIKeyVARJVLIBSPRFGG-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.13
Rot. Bonds2

About 2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide

2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide (PubChem CID 168521532) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
PubChem CID168521532
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
SMILESCc1cc(F)c(NC(=O)CC#N)c(F)c1
InChIInChI=1S/C10H8F2N2O/c1-6-4-7(11)10(8(12)5-6)14-9(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)
InChIKeyVARJVLIBSPRFGG-UHFFFAOYSA-N
XLogP2.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-N-(2,6-difluoro-4-methylphenyl)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-(2,6-difluorophenyl)acetamide
CID 13174846
2-cyano-N-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 168523812
(2,6-difluoro-4-methylphenyl)carbamic acid
CID 175535937
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
2-[(2-cyanoacetyl)amino]-6-fluoro-3-methylbenzoic acid
CID 168522491
2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
N-(3-acetyl-2-hydroxy-5-methylphenyl)-2-cyanoacetamide
CID 168520579
N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide
CID 168523333
2-cyano-N-(4-fluoro-2-hydroxy-6-iodophenyl)acetamide
CID 168520911
2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide
CID 168520217
methyl 2-[(2-cyanoacetyl)amino]-3-fluorobenzoate
CID 83294015

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide (CID 168521532) is 2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide is Cc1cc(F)c(NC(=O)CC#N)c(F)c1.
What is the InChIKey of 2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide?
The InChIKey is VARJVLIBSPRFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-6-4-7(11)10(8(12)5-6)14-9(15)2-3-13/h4-5H,2H2,1H3,(H,14,15).
What are the key properties of 2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide?
2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide has a molecular weight of 210.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 168521532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).