4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide

C16H14FN3O2 — CID 110791167

IUPAC4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2/c17-12-4-2-11(3-5-12)15(21)18-8-7-10-1-6-13-14(9-10)20-16(22)19-13/h1-6,9H,7-8H2,(H,18,21)(H2,19,20,22)
InChIKeyQMYDILFUCVIZKW-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.97
Rot. Bonds4

About 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide

4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (PubChem CID 110791167) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
PubChem CID110791167
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2/c17-12-4-2-11(3-5-12)15(21)18-8-7-10-1-6-13-14(9-10)20-16(22)19-13/h1-6,9H,7-8H2,(H,18,21)(H2,19,20,22)
InChIKeyQMYDILFUCVIZKW-UHFFFAOYSA-N
XLogP1.97
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
CID 110665296
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791169
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791178
1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 115192948
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 110791217
1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide
CID 115172542
4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75454611
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide
CID 110791278

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (CID 110791167) is 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is O=C(NCCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The InChIKey is QMYDILFUCVIZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-12-4-2-11(3-5-12)15(21)18-8-7-10-1-6-13-14(9-10)20-16(22)19-13/h1-6,9H,7-8H2,(H,18,21)(H2,19,20,22).
What are the key properties of 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide has a molecular weight of 299.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110791167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).