2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide

C14H14ClF2N3O — CID 134044459

IUPAC2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
SMILESCN(Cc1nccn1C(F)F)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClF2N3O/c1-19(9-12-18-6-7-20(12)14(16)17)13(21)8-10-2-4-11(15)5-3-10/h2-7,14H,8-9H2,1H3
InChIKeyZXWNBMUCBCHJSL-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.13
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide

2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide (PubChem CID 134044459) has the molecular formula C14H14ClF2N3O and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
PubChem CID134044459
Molecular FormulaC14H14ClF2N3O
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
SMILESCN(Cc1nccn1C(F)F)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClF2N3O/c1-19(9-12-18-6-7-20(12)14(16)17)13(21)8-10-2-4-11(15)5-3-10/h2-7,14H,8-9H2,1H3
InChIKeyZXWNBMUCBCHJSL-UHFFFAOYSA-N
XLogP3.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide (CID 134044459) is 2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide is CN(Cc1nccn1C(F)F)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide?
The InChIKey is ZXWNBMUCBCHJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O/c1-19(9-12-18-6-7-20(12)14(16)17)13(21)8-10-2-4-11(15)5-3-10/h2-7,14H,8-9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide?
2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide has a molecular weight of 313.74 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 134044459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).