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

C16H13ClFN3O2 — CID 113092241

IUPAC3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1c(=O)[nH]c2cc(F)ccc21)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClFN3O2/c17-11-3-1-2-10(8-11)15(22)19-6-7-21-14-5-4-12(18)9-13(14)20-16(21)23/h1-5,8-9H,6-7H2,(H,19,22)(H,20,23)
InChIKeyYZQCYLIOXTXCTO-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.55
Rot. Bonds4

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

3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide (PubChem CID 113092241) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is 3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
PubChem CID113092241
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Name3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1c(=O)[nH]c2cc(F)ccc21)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClFN3O2/c17-11-3-1-2-10(8-11)15(22)19-6-7-21-14-5-4-12(18)9-13(14)20-16(21)23/h1-5,8-9H,6-7H2,(H,19,22)(H,20,23)
InChIKeyYZQCYLIOXTXCTO-UHFFFAOYSA-N
XLogP2.55
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 113092250
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-fluorobenzamide
CID 110396411
3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400726
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571424
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 113092247
2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
CID 113092143
3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173
4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419732
N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 166361846
4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide
CID 110420297
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide (CID 113092241) is 3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide is O=C(NCCn1c(=O)[nH]c2cc(F)ccc21)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The InChIKey is YZQCYLIOXTXCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c17-11-3-1-2-10(8-11)15(22)19-6-7-21-14-5-4-12(18)9-13(14)20-16(21)23/h1-5,8-9H,6-7H2,(H,19,22)(H,20,23).
What are the key properties of 3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide has a molecular weight of 333.75 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 113092241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).