N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide

C17H10ClF3N2O — CID 142343699

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2cccnc2c1
InChIInChI=1S/C17H10ClF3N2O/c18-14-6-5-12(9-13(14)17(19,20)21)23-16(24)11-4-3-10-2-1-7-22-15(10)8-11/h1-9H,(H,23,24)
InChIKeyZPDWODCAFIRJFW-UHFFFAOYSA-N
MW350.73 g/mol
LogP5.16
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide (PubChem CID 142343699) has the molecular formula C17H10ClF3N2O and a molecular weight of 350.73 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
PubChem CID142343699
Molecular FormulaC17H10ClF3N2O
Molecular Weight350.73 g/mol
Exact Mass350.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2cccnc2c1
InChIInChI=1S/C17H10ClF3N2O/c18-14-6-5-12(9-13(14)17(19,20)21)23-16(24)11-4-3-10-2-1-7-22-15(10)8-11/h1-9H,(H,23,24)
InChIKeyZPDWODCAFIRJFW-UHFFFAOYSA-N
XLogP5.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.73
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-4-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 162607907
N-(3,4-dichlorophenyl)quinoline-7-carboxamide
CID 142343714
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
N-[4-fluoro-3-(methylsulfamoyl)phenyl]quinoline-7-carboxamide
CID 142343698
1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 11486345
4-chloro-N-(3-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 154268338
3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 75203737
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
CID 89443152

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide (CID 142343699) is N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2cccnc2c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide?
The InChIKey is ZPDWODCAFIRJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O/c18-14-6-5-12(9-13(14)17(19,20)21)23-16(24)11-4-3-10-2-1-7-22-15(10)8-11/h1-9H,(H,23,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide has a molecular weight of 350.73 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide is sourced from PubChem (CID 142343699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).