2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide

C13H14FN3O — CID 115616714

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
SMILESCc1ncn(CC(=O)Nc2cccc(F)c2)c1C
InChIInChI=1S/C13H14FN3O/c1-9-10(2)17(8-15-9)7-13(18)16-12-5-3-4-11(14)6-12/h3-6,8H,7H2,1-2H3,(H,16,18)
InChIKeyPRQMXYYQRWIMMY-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.28
Rot. Bonds3

About 2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide

2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 115616714) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
PubChem CID115616714
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
SMILESCc1ncn(CC(=O)Nc2cccc(F)c2)c1C
InChIInChI=1S/C13H14FN3O/c1-9-10(2)17(8-15-9)7-13(18)16-12-5-3-4-11(14)6-12/h3-6,8H,7H2,1-2H3,(H,16,18)
InChIKeyPRQMXYYQRWIMMY-UHFFFAOYSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 114584066
ethyl 1-[2-[3-(3-fluorophenyl)anilino]-2-oxoethyl]-5-methylimidazole-4-carboxylate
CID 138109034
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
2-[3-(3,5-dimethylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(3-fluorophenyl)acetamide
CID 7476478
ethyl 3-[2-(3-fluoroanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651858
N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide
CID 62222625
N-(3-fluorophenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 50800523
2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(3-fluorophenyl)acetamide
CID 104505886
N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 55064353
N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774438

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide (CID 115616714) is 2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide is Cc1ncn(CC(=O)Nc2cccc(F)c2)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is PRQMXYYQRWIMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-10(2)17(8-15-9)7-13(18)16-12-5-3-4-11(14)6-12/h3-6,8H,7H2,1-2H3,(H,16,18).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide?
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 247.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 115616714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).