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

C17H16FN3O2 — CID 113195424

IUPACN-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C17H16FN3O2/c1-2-11-5-3-4-6-13(11)19-16(22)10-21-15-8-7-12(18)9-14(15)20-17(21)23/h3-9H,2,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyAIFWJGHUWOGLPG-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.67
Rot. Bonds4

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

N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 113195424) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID113195424
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C17H16FN3O2/c1-2-11-5-3-4-6-13(11)19-16(22)10-21-15-8-7-12(18)9-14(15)20-17(21)23/h3-9H,2,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyAIFWJGHUWOGLPG-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 113195452
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide
CID 113195349
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113195462
N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195817
N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170792
N-(2-ethylphenyl)-2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 20974657
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113195740
N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
CID 11675218
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 55629407
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 113195807

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide (CID 113195424) is N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide is CCc1ccccc1NC(=O)Cn1c(=O)[nH]c2cc(F)ccc21.
What is the InChIKey of N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is AIFWJGHUWOGLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-2-11-5-3-4-6-13(11)19-16(22)10-21-15-8-7-12(18)9-14(15)20-17(21)23/h3-9H,2,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide?
N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 113195424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).