2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide

C11H13Cl2F2N3O — CID 134050130

IUPAC2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H13Cl2F2N3O/c1-10(6-11(10,12)13)8(19)17(2)5-7-16-3-4-18(7)9(14)15/h3-4,9H,5-6H2,1-2H3
InChIKeyHCSYZKRRHNRERN-UHFFFAOYSA-N
MW312.15 g/mol
LogP2.82
Rot. Bonds4

About 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide

2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide (PubChem CID 134050130) has the molecular formula C11H13Cl2F2N3O and a molecular weight of 312.15 g/mol. Its IUPAC name is 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide
PubChem CID134050130
Molecular FormulaC11H13Cl2F2N3O
Molecular Weight312.15 g/mol
Exact Mass311.04
IUPAC Name2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H13Cl2F2N3O/c1-10(6-11(10,12)13)8(19)17(2)5-7-16-3-4-18(7)9(14)15/h3-4,9H,5-6H2,1-2H3
InChIKeyHCSYZKRRHNRERN-UHFFFAOYSA-N
XLogP2.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119853720
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86999028
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-1-methylurea
CID 129392780
2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
CID 134044459
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 38341813
3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride
CID 120612493
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
CID 86998907
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915287
(2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 95902904
2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
CID 134050131

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide (CID 134050130) is 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide is CN(Cc1nccn1C(F)F)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide?
The InChIKey is HCSYZKRRHNRERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F2N3O/c1-10(6-11(10,12)13)8(19)17(2)5-7-16-3-4-18(7)9(14)15/h3-4,9H,5-6H2,1-2H3.
What are the key properties of 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide?
2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide has a molecular weight of 312.15 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 134050130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).