N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide

C23H15ClF2N2O2 — CID 71208127

IUPACN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cc(F)cc(F)c1
InChIInChI=1S/C23H15ClF2N2O2/c24-16-6-7-20-21(10-16)28(19-4-2-1-3-5-19)13-15(22(20)29)12-27-23(30)14-8-17(25)11-18(26)9-14/h1-11,13H,12H2,(H,27,30)
InChIKeySIVHZYRUOXUTLG-UHFFFAOYSA-N
MW424.83 g/mol
LogP4.85
Rot. Bonds4

About N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide (PubChem CID 71208127) has the molecular formula C23H15ClF2N2O2 and a molecular weight of 424.83 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide
PubChem CID71208127
Molecular FormulaC23H15ClF2N2O2
Molecular Weight424.83 g/mol
Exact Mass424.08
IUPAC NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cc(F)cc(F)c1
InChIInChI=1S/C23H15ClF2N2O2/c24-16-6-7-20-21(10-16)28(19-4-2-1-3-5-19)13-15(22(20)29)12-27-23(30)14-8-17(25)11-18(26)9-14/h1-11,13H,12H2,(H,27,30)
InChIKeySIVHZYRUOXUTLG-UHFFFAOYSA-N
XLogP4.85
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide?
The IUPAC name of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide (CID 71208127) is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide is O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide?
The InChIKey is SIVHZYRUOXUTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N2O2/c24-16-6-7-20-21(10-16)28(19-4-2-1-3-5-19)13-15(22(20)29)12-27-23(30)14-8-17(25)11-18(26)9-14/h1-11,13H,12H2,(H,27,30).
What are the key properties of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide?
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide has a molecular weight of 424.83 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3,5-difluorobenzamide is sourced from PubChem (CID 71208127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).