2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide

C24H16ClF3N2O2 — CID 4910543

IUPAC2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide
SMILESCn1c(NC(=O)c2ccccc2Cl)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21
InChIInChI=1S/C24H16ClF3N2O2/c1-30-19-12-5-3-10-17(19)21(31)20(14-7-6-8-15(13-14)24(26,27)28)22(30)29-23(32)16-9-2-4-11-18(16)25/h2-13H,1H3,(H,29,32)
InChIKeyPKSKKOPNYKLCHD-UHFFFAOYSA-N
MW456.85 g/mol
LogP6.13
Rot. Bonds3

About 2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide

2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide (PubChem CID 4910543) has the molecular formula C24H16ClF3N2O2 and a molecular weight of 456.85 g/mol. Its IUPAC name is 2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide
PubChem CID4910543
Molecular FormulaC24H16ClF3N2O2
Molecular Weight456.85 g/mol
Exact Mass456.09
IUPAC Name2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide
SMILESCn1c(NC(=O)c2ccccc2Cl)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21
InChIInChI=1S/C24H16ClF3N2O2/c1-30-19-12-5-3-10-17(19)21(31)20(14-7-6-8-15(13-14)24(26,27)28)22(30)29-23(32)16-9-2-4-11-18(16)25/h2-13H,1H3,(H,29,32)
InChIKeyPKSKKOPNYKLCHD-UHFFFAOYSA-N
XLogP6.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.85
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4911005
4-tert-butyl-N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4903336
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
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
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide
CID 45255149
1-methyl-3-phenyl-5-(trifluoromethyl)indole-2-carbonyl chloride chloride
CID 157145690
2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
CID 13341094
1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 55756099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide (CID 4910543) is 2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide is Cn1c(NC(=O)c2ccccc2Cl)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21.
What is the InChIKey of 2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide?
The InChIKey is PKSKKOPNYKLCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N2O2/c1-30-19-12-5-3-10-17(19)21(31)20(14-7-6-8-15(13-14)24(26,27)28)22(30)29-23(32)16-9-2-4-11-18(16)25/h2-13H,1H3,(H,29,32).
What are the key properties of 2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide?
2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide has a molecular weight of 456.85 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide is sourced from PubChem (CID 4910543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).