2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide

C23H15Cl3N2O2 — CID 4911005

IUPAC2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
SMILESCn1c(NC(=O)c2ccccc2Cl)c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21
InChIInChI=1S/C23H15Cl3N2O2/c1-28-19-9-5-3-7-15(19)21(29)20(13-10-11-17(25)18(26)12-13)22(28)27-23(30)14-6-2-4-8-16(14)24/h2-12H,1H3,(H,27,30)
InChIKeyYSISBJYBJIDRJT-UHFFFAOYSA-N
MW457.74 g/mol
LogP6.42
Rot. Bonds3

About 2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide

2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide (PubChem CID 4911005) has the molecular formula C23H15Cl3N2O2 and a molecular weight of 457.74 g/mol. Its IUPAC name is 2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
PubChem CID4911005
Molecular FormulaC23H15Cl3N2O2
Molecular Weight457.74 g/mol
Exact Mass456.02
IUPAC Name2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
SMILESCn1c(NC(=O)c2ccccc2Cl)c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21
InChIInChI=1S/C23H15Cl3N2O2/c1-28-19-9-5-3-7-15(19)21(29)20(13-10-11-17(25)18(26)12-13)22(28)27-23(30)14-6-2-4-8-16(14)24/h2-12H,1H3,(H,27,30)
InChIKeyYSISBJYBJIDRJT-UHFFFAOYSA-N
XLogP6.42
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.74
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide
CID 4910543
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide
CID 4901307
2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide
CID 4903955
4-tert-butyl-N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4903336
4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 16957143
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]cyclohexanecarboxamide
CID 4908379
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4907437
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4903800
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
CID 46249057
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
CID 4870056
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide (CID 4911005) is 2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide is Cn1c(NC(=O)c2ccccc2Cl)c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21.
What is the InChIKey of 2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide?
The InChIKey is YSISBJYBJIDRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl3N2O2/c1-28-19-9-5-3-7-15(19)21(29)20(13-10-11-17(25)18(26)12-13)22(28)27-23(30)14-6-2-4-8-16(14)24/h2-12H,1H3,(H,27,30).
What are the key properties of 2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide?
2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide has a molecular weight of 457.74 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide is sourced from PubChem (CID 4911005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).