N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide

C17H12FN3O2 — CID 5048449

IUPACN-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccccc1C(=O)c1ncc[nH]1
InChIInChI=1S/C17H12FN3O2/c18-11-4-3-5-12(10-11)21-17(23)14-7-2-1-6-13(14)15(22)16-19-8-9-20-16/h1-10H,(H,19,20)(H,21,23)
InChIKeyVORSSRCLEGZYOZ-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.03
Rot. Bonds4

About N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide

N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide (PubChem CID 5048449) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide
PubChem CID5048449
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC NameN-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccccc1C(=O)c1ncc[nH]1
InChIInChI=1S/C17H12FN3O2/c18-11-4-3-5-12(10-11)21-17(23)14-7-2-1-6-13(14)15(22)16-19-8-9-20-16/h1-10H,(H,19,20)(H,21,23)
InChIKeyVORSSRCLEGZYOZ-UHFFFAOYSA-N
XLogP3.03
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide (CID 5048449) is N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide is O=C(Nc1cccc(F)c1)c1ccccc1C(=O)c1ncc[nH]1.
What is the InChIKey of N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide?
The InChIKey is VORSSRCLEGZYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-11-4-3-5-12(10-11)21-17(23)14-7-2-1-6-13(14)15(22)16-19-8-9-20-16/h1-10H,(H,19,20)(H,21,23).
What are the key properties of N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide?
N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide has a molecular weight of 309.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(1H-imidazole-2-carbonyl)benzamide is sourced from PubChem (CID 5048449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).