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

C16H12F3N3O2 — CID 113092250

IUPAC3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1c(=O)[nH]c2cc(F)ccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C16H12F3N3O2/c17-10-2-4-14-13(8-10)21-16(24)22(14)6-5-20-15(23)9-1-3-11(18)12(19)7-9/h1-4,7-8H,5-6H2,(H,20,23)(H,21,24)
InChIKeyDZZQGQMPWSJGFL-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.18
Rot. Bonds4

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

3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide (PubChem CID 113092250) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
PubChem CID113092250
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1c(=O)[nH]c2cc(F)ccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C16H12F3N3O2/c17-10-2-4-14-13(8-10)21-16(24)22(14)6-5-20-15(23)9-1-3-11(18)12(19)7-9/h1-4,7-8H,5-6H2,(H,20,23)(H,21,24)
InChIKeyDZZQGQMPWSJGFL-UHFFFAOYSA-N
XLogP2.18
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 113092241
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3-methylbutanamide
CID 113092201
2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
CID 113092143
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 113092247
4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419732
1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 83114218
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-fluorobenzamide
CID 110396411
3-[4-(dimethylamino)butyl]-6-fluoro-1H-benzimidazol-2-one
CID 110491197
3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110610885
1-(2-ethoxyethyl)-N-ethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70775195
3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400726

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide (CID 113092250) is 3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide is O=C(NCCn1c(=O)[nH]c2cc(F)ccc21)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The InChIKey is DZZQGQMPWSJGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-10-2-4-14-13(8-10)21-16(24)22(14)6-5-20-15(23)9-1-3-11(18)12(19)7-9/h1-4,7-8H,5-6H2,(H,20,23)(H,21,24).
What are the key properties of 3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide has a molecular weight of 335.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 113092250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).