N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide

C14H14FN3O — CID 136540100

IUPACN-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(F)c(C3CC3)c2)c1
InChIInChI=1S/C14H14FN3O/c1-18-7-13(16-8-18)14(19)17-10-4-5-12(15)11(6-10)9-2-3-9/h4-9H,2-3H2,1H3,(H,17,19)
InChIKeyHTZHRPXEAFZMBG-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.69
Rot. Bonds3

About N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide

N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 136540100) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID136540100
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(F)c(C3CC3)c2)c1
InChIInChI=1S/C14H14FN3O/c1-18-7-13(16-8-18)14(19)17-10-4-5-12(15)11(6-10)9-2-3-9/h4-9H,2-3H2,1H3,(H,17,19)
InChIKeyHTZHRPXEAFZMBG-UHFFFAOYSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 114022445
2-bromo-5-[(1-methylimidazole-4-carbonyl)amino]benzoic acid
CID 107971638
4-chloro-N-(3-cyclopropyl-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246714
tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate
CID 130848962
N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973113
N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
CID 113264926
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
N-[3-(1-aminoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 114022569
N-(3-carbamothioylphenyl)-1-methylimidazole-4-carboxamide
CID 107972144
(2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124886177
N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 103860189

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide (CID 136540100) is N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)Nc2ccc(F)c(C3CC3)c2)c1.
What is the InChIKey of N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is HTZHRPXEAFZMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-18-7-13(16-8-18)14(19)17-10-4-5-12(15)11(6-10)9-2-3-9/h4-9H,2-3H2,1H3,(H,17,19).
What are the key properties of N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide?
N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 136540100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).