2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide

C23H13Cl2F3N2O — CID 3128616

IUPAC2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C23H13Cl2F3N2O/c24-15-8-5-13(6-9-15)20-12-17(16-3-1-2-4-19(16)29-20)22(31)30-21-11-14(23(26,27)28)7-10-18(21)25/h1-12H,(H,30,31)
InChIKeyAIYLMKSYZJUIBT-UHFFFAOYSA-N
MW461.27 g/mol
LogP7.48
Rot. Bonds3

About 2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 3128616) has the molecular formula C23H13Cl2F3N2O and a molecular weight of 461.27 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
PubChem CID3128616
Molecular FormulaC23H13Cl2F3N2O
Molecular Weight461.27 g/mol
Exact Mass460.04
IUPAC Name2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C23H13Cl2F3N2O/c24-15-8-5-13(6-9-15)20-12-17(16-3-1-2-4-19(16)29-20)22(31)30-21-11-14(23(26,27)28)7-10-18(21)25/h1-12H,(H,30,31)
InChIKeyAIYLMKSYZJUIBT-UHFFFAOYSA-N
XLogP7.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.27
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3500821
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 5207442
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647664
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4074181
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
2-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3320356
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide (CID 3128616) is 2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is AIYLMKSYZJUIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2F3N2O/c24-15-8-5-13(6-9-15)20-12-17(16-3-1-2-4-19(16)29-20)22(31)30-21-11-14(23(26,27)28)7-10-18(21)25/h1-12H,(H,30,31).
What are the key properties of 2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 461.27 g/mol, XLogP of 7.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 3128616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).