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

C10H11Cl2F2N3O — CID 78848788

IUPAC2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C10H11Cl2F2N3O/c1-16(8(18)6-4-10(6,11)12)5-7-15-2-3-17(7)9(13)14/h2-3,6,9H,4-5H2,1H3
InChIKeyMNBVJUWOKIYMFD-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.43
Rot. Bonds4

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

2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 78848788) has the molecular formula C10H11Cl2F2N3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID78848788
Molecular FormulaC10H11Cl2F2N3O
Molecular Weight298.12 g/mol
Exact Mass297.02
IUPAC Name2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C10H11Cl2F2N3O/c1-16(8(18)6-4-10(6,11)12)5-7-15-2-3-17(7)9(13)14/h2-3,6,9H,4-5H2,1H3
InChIKeyMNBVJUWOKIYMFD-UHFFFAOYSA-N
XLogP2.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide (CID 78848788) is 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide is CN(Cc1nccn1C(F)F)C(=O)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is MNBVJUWOKIYMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F2N3O/c1-16(8(18)6-4-10(6,11)12)5-7-15-2-3-17(7)9(13)14/h2-3,6,9H,4-5H2,1H3.
What are the key properties of 2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 298.12 g/mol, XLogP of 2.43, 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-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 78848788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).