2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide

C17H16FN3O2 — CID 113195349

IUPAC2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1c(=O)[nH]c2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C17H16FN3O2/c1-11(12-5-3-2-4-6-12)19-16(22)10-21-15-8-7-13(18)9-14(15)20-17(21)23/h2-9,11H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyWPYWJBKBSLYDJV-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.35
Rot. Bonds4

About 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide

2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide (PubChem CID 113195349) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide
PubChem CID113195349
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1c(=O)[nH]c2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C17H16FN3O2/c1-11(12-5-3-2-4-6-12)19-16(22)10-21-15-8-7-13(18)9-14(15)20-17(21)23/h2-9,11H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyWPYWJBKBSLYDJV-UHFFFAOYSA-N
XLogP2.35
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 113195428
2-(6-fluoro-4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 100742748
N-[1-(4-fluorophenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46550695
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113195462
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 108794915
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 113195452
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3-methylbutanamide
CID 113092201
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 177351610
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42955940
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide (CID 113195349) is 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cn1c(=O)[nH]c2cc(F)ccc21)c1ccccc1.
What is the InChIKey of 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is WPYWJBKBSLYDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11(12-5-3-2-4-6-12)19-16(22)10-21-15-8-7-13(18)9-14(15)20-17(21)23/h2-9,11H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide?
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113195349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).