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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
CID 134050131
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide
CID 38341753
3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride
CID 120612493
2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 134050130
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
N-(5-chloro-2-fluorophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 71986610
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea
CID 38216175
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
CID 86998907
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 38341813
2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 37309076
ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
CID 55024545

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).