2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide

C17H16FN3O2 — CID 24564807

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H16FN3O2/c1-2-20-14-8-3-4-9-15(14)21(17(20)23)11-16(22)19-13-7-5-6-12(18)10-13/h3-10H,2,11H2,1H3,(H,19,22)
InChIKeyCJLUBEMZHPYFGT-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.60
Rot. Bonds4

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 24564807) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
PubChem CID24564807
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H16FN3O2/c1-2-20-14-8-3-4-9-15(14)21(17(20)23)11-16(22)19-13-7-5-6-12(18)10-13/h3-10H,2,11H2,1H3,(H,19,22)
InChIKeyCJLUBEMZHPYFGT-UHFFFAOYSA-N
XLogP2.60
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110882347
2-(6-ethyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-fluorophenyl)acetamide
CID 53153215
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38034884
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
N-[1-(3-acetamidophenyl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55585412
N-(3-fluorophenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 15993730
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 55676941
2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 55836005
4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 24609226
N-(3-fluorophenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46278489
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 25299288
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-fluorophenyl)acetamide
CID 53097796

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide (CID 24564807) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide is CCn1c(=O)n(CC(=O)Nc2cccc(F)c2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is CJLUBEMZHPYFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-2-20-14-8-3-4-9-15(14)21(17(20)23)11-16(22)19-13-7-5-6-12(18)10-13/h3-10H,2,11H2,1H3,(H,19,22).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 24564807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).