4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide

C18H11ClFN3O — CID 141219997

IUPAC4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(-c2nc3cccc(F)c3cc2C#N)c1
InChIInChI=1S/C18H11ClFN3O/c1-22-18(24)10-5-6-14(19)12(7-10)17-11(9-21)8-13-15(20)3-2-4-16(13)23-17/h2-8H,1H3,(H,22,24)
InChIKeyFCDKPGPSOFPZCL-UHFFFAOYSA-N
MW339.76 g/mol
LogP3.93
Rot. Bonds2

About 4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide

4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide (PubChem CID 141219997) has the molecular formula C18H11ClFN3O and a molecular weight of 339.76 g/mol. Its IUPAC name is 4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide
PubChem CID141219997
Molecular FormulaC18H11ClFN3O
Molecular Weight339.76 g/mol
Exact Mass339.06
IUPAC Name4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(-c2nc3cccc(F)c3cc2C#N)c1
InChIInChI=1S/C18H11ClFN3O/c1-22-18(24)10-5-6-14(19)12(7-10)17-11(9-21)8-13-15(20)3-2-4-16(13)23-17/h2-8H,1H3,(H,22,24)
InChIKeyFCDKPGPSOFPZCL-UHFFFAOYSA-N
XLogP3.93
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide?
The IUPAC name of 4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide (CID 141219997) is 4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(-c2nc3cccc(F)c3cc2C#N)c1.
What is the InChIKey of 4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide?
The InChIKey is FCDKPGPSOFPZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O/c1-22-18(24)10-5-6-14(19)12(7-10)17-11(9-21)8-13-15(20)3-2-4-16(13)23-17/h2-8H,1H3,(H,22,24).
What are the key properties of 4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide?
4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide has a molecular weight of 339.76 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide is sourced from PubChem (CID 141219997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).