N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide

C13H13F2N3O — CID 46340029

IUPACN-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(F)cc1F)n1ccnc1
InChIInChI=1S/C13H13F2N3O/c1-9(18-5-4-16-8-18)6-13(19)17-12-3-2-10(14)7-11(12)15/h2-5,7-9H,6H2,1H3,(H,17,19)
InChIKeyWGKQCZWMONJNNB-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.75
Rot. Bonds4

About N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide

N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide (PubChem CID 46340029) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide
PubChem CID46340029
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC NameN-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(F)cc1F)n1ccnc1
InChIInChI=1S/C13H13F2N3O/c1-9(18-5-4-16-8-18)6-13(19)17-12-3-2-10(14)7-11(12)15/h2-5,7-9H,6H2,1H3,(H,17,19)
InChIKeyWGKQCZWMONJNNB-UHFFFAOYSA-N
XLogP2.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluoroanilino)-2-methyl-4-oxobutanoic acid
CID 115164947
3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 46340049
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazol-1-ylbutanamide
CID 46340042
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
(3R)-3-imidazol-1-ylbutanoic acid
CID 683521
3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide
CID 46339616
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide
CID 51195160
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide
CID 60803296
(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708178
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353461

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide (CID 46340029) is N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide is CC(CC(=O)Nc1ccc(F)cc1F)n1ccnc1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide?
The InChIKey is WGKQCZWMONJNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-9(18-5-4-16-8-18)6-13(19)17-12-3-2-10(14)7-11(12)15/h2-5,7-9H,6H2,1H3,(H,17,19).
What are the key properties of N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide?
N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide has a molecular weight of 265.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide is sourced from PubChem (CID 46340029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).