2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide

C12H12FN3O — CID 110472886

IUPAC2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide
SMILESCn1ccnc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O/c1-16-7-6-14-12(16)15-11(17)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyCVGJYHJUDMSWTG-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.74
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide

2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide (PubChem CID 110472886) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide
PubChem CID110472886
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide
SMILESCn1ccnc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O/c1-16-7-6-14-12(16)15-11(17)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyCVGJYHJUDMSWTG-UHFFFAOYSA-N
XLogP1.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylimidazol-2-yl)-2-thiophen-2-ylacetamide
CID 110472554
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
N-(1-methylimidazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110473002
2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799750
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide
CID 162687242
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 16841389
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
2-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 47043618
methyl (2S)-2-amino-5-[(1-methylimidazol-2-yl)amino]-5-oxopentanoate
CID 139662879

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide (CID 110472886) is 2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide is Cn1ccnc1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide?
The InChIKey is CVGJYHJUDMSWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-16-7-6-14-12(16)15-11(17)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3,(H,14,15,17).
What are the key properties of 2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide?
2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide has a molecular weight of 233.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide is sourced from PubChem (CID 110472886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).