2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide

C17H15ClFN3O2 — CID 110396297

IUPAC2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
SMILESCn1c(=O)n(CCNC(=O)c2c(F)cccc2Cl)c2ccccc21
InChIInChI=1S/C17H15ClFN3O2/c1-21-13-7-2-3-8-14(13)22(17(21)24)10-9-20-16(23)15-11(18)5-4-6-12(15)19/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyOVPGVEALUQZGNK-UHFFFAOYSA-N
MW347.78 g/mol
LogP2.56
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide (PubChem CID 110396297) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
PubChem CID110396297
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
SMILESCn1c(=O)n(CCNC(=O)c2c(F)cccc2Cl)c2ccccc21
InChIInChI=1S/C17H15ClFN3O2/c1-21-13-7-2-3-8-14(13)22(17(21)24)10-9-20-16(23)15-11(18)5-4-6-12(15)19/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyOVPGVEALUQZGNK-UHFFFAOYSA-N
XLogP2.56
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
CID 110396250
2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
CID 49170067
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-6-fluorobenzamide
CID 108540343
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
CID 110720919
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide (CID 110396297) is 2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide is Cn1c(=O)n(CCNC(=O)c2c(F)cccc2Cl)c2ccccc21.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide?
The InChIKey is OVPGVEALUQZGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-21-13-7-2-3-8-14(13)22(17(21)24)10-9-20-16(23)15-11(18)5-4-6-12(15)19/h2-8H,9-10H2,1H3,(H,20,23).
What are the key properties of 2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide has a molecular weight of 347.78 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 110396297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).