N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide

C14H13ClFN3O — CID 112722748

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide
SMILESO=C(N(Cc1c(F)cccc1Cl)C1CC1)n1ccnc1
InChIInChI=1S/C14H13ClFN3O/c15-12-2-1-3-13(16)11(12)8-19(10-4-5-10)14(20)18-7-6-17-9-18/h1-3,6-7,9-10H,4-5,8H2
InChIKeyZPNXEFSVQJYJMF-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.31
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide (PubChem CID 112722748) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide
PubChem CID112722748
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide
SMILESO=C(N(Cc1c(F)cccc1Cl)C1CC1)n1ccnc1
InChIInChI=1S/C14H13ClFN3O/c15-12-2-1-3-13(16)11(12)8-19(10-4-5-10)14(20)18-7-6-17-9-18/h1-3,6-7,9-10H,4-5,8H2
InChIKeyZPNXEFSVQJYJMF-UHFFFAOYSA-N
XLogP3.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-imidazol-1-ylethanone
CID 82117132
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(3-pyrazol-1-ylpropyl)urea
CID 121494478
cis-(1R,3S)-3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]cyclopentane-1-carboxylic acid
CID 171912650
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
CID 62855039
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72880935
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide
CID 134003236
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 122570529
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea
CID 121499125
1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide
CID 46632706

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide (CID 112722748) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide is O=C(N(Cc1c(F)cccc1Cl)C1CC1)n1ccnc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide?
The InChIKey is ZPNXEFSVQJYJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c15-12-2-1-3-13(16)11(12)8-19(10-4-5-10)14(20)18-7-6-17-9-18/h1-3,6-7,9-10H,4-5,8H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide is sourced from PubChem (CID 112722748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).