2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C16H11F4N3O2 — CID 113195462

IUPAC2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)[nH]c2cc(F)ccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F4N3O2/c17-10-4-5-13-12(7-10)22-15(25)23(13)8-14(24)21-11-3-1-2-9(6-11)16(18,19)20/h1-7H,8H2,(H,21,24)(H,22,25)
InChIKeyKRFYSEYZGLGCEU-UHFFFAOYSA-N
MW353.28 g/mol
LogP3.13
Rot. Bonds3

About 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 113195462) has the molecular formula C16H11F4N3O2 and a molecular weight of 353.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID113195462
Molecular FormulaC16H11F4N3O2
Molecular Weight353.28 g/mol
Exact Mass353.08
IUPAC Name2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)[nH]c2cc(F)ccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F4N3O2/c17-10-4-5-13-12(7-10)22-15(25)23(13)8-14(24)21-11-3-1-2-9(6-11)16(18,19)20/h1-7H,8H2,(H,21,24)(H,22,25)
InChIKeyKRFYSEYZGLGCEU-UHFFFAOYSA-N
XLogP3.13
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 113195452
N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195424
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 113195428
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4903112
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195277
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53063668
CID 89006052
CID 89006052
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7713296
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 46809668
2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53141723
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20908548

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 113195462) is 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1c(=O)[nH]c2cc(F)ccc21)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KRFYSEYZGLGCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O2/c17-10-4-5-13-12(7-10)22-15(25)23(13)8-14(24)21-11-3-1-2-9(6-11)16(18,19)20/h1-7H,8H2,(H,21,24)(H,22,25).
What are the key properties of 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 353.28 g/mol, XLogP of 3.13, 3 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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113195462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).