N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide

C12H10FN3O2 — CID 62222625

IUPACN-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide
SMILESO=Cc1nccn1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H10FN3O2/c13-9-2-1-3-10(6-9)15-12(18)7-16-5-4-14-11(16)8-17/h1-6,8H,7H2,(H,15,18)
InChIKeyHTXFINZKYQBLMH-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.47
Rot. Bonds4

About N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide

N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide (PubChem CID 62222625) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide
PubChem CID62222625
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC NameN-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide
SMILESO=Cc1nccn1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H10FN3O2/c13-9-2-1-3-10(6-9)15-12(18)7-16-5-4-14-11(16)8-17/h1-6,8H,7H2,(H,15,18)
InChIKeyHTXFINZKYQBLMH-UHFFFAOYSA-N
XLogP1.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62223154
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714
2-(2-formylimidazol-1-yl)-N-methylacetamide
CID 62222272
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421
N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide
CID 70731032
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 114584066
N-(3-fluorophenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494417
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 29098002
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(3-fluorophenyl)acetamide
CID 26579576

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide (CID 62222625) is N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide is O=Cc1nccn1CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide?
The InChIKey is HTXFINZKYQBLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-9-2-1-3-10(6-9)15-12(18)7-16-5-4-14-11(16)8-17/h1-6,8H,7H2,(H,15,18).
What are the key properties of N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide?
N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide has a molecular weight of 247.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide is sourced from PubChem (CID 62222625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).