2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide

C16H13ClFN3O2 — CID 49170067

IUPAC2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)c3c(F)cccc3Cl)ccc21
InChIInChI=1S/C16H13ClFN3O2/c1-20-12-7-6-9(8-13(12)21(2)16(20)23)19-15(22)14-10(17)4-3-5-11(14)18/h3-8H,1-2H3,(H,19,22)
InChIKeyHBDWGVQGUPYVBH-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.92
Rot. Bonds2

About 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide

2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide (PubChem CID 49170067) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
PubChem CID49170067
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Name2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)c3c(F)cccc3Cl)ccc21
InChIInChI=1S/C16H13ClFN3O2/c1-20-12-7-6-9(8-13(12)21(2)16(20)23)19-15(22)14-10(17)4-3-5-11(14)18/h3-8H,1-2H3,(H,19,22)
InChIKeyHBDWGVQGUPYVBH-UHFFFAOYSA-N
XLogP2.92
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide 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

2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
CID 110396297
2-chloro-6-fluoro-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
CID 18571527
2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927224
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
2-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-fluorobenzohydrazide
CID 2145322
2-chloro-6-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110724904
2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
CID 2811607
2-chloro-6-fluoro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51300305

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide (CID 49170067) is 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide is Cn1c(=O)n(C)c2cc(NC(=O)c3c(F)cccc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide?
The InChIKey is HBDWGVQGUPYVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c1-20-12-7-6-9(8-13(12)21(2)16(20)23)19-15(22)14-10(17)4-3-5-11(14)18/h3-8H,1-2H3,(H,19,22).
What are the key properties of 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide?
2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide has a molecular weight of 333.75 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide is sourced from PubChem (CID 49170067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).