N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide

C17H9ClF4N2O2 — CID 110427041

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C17H9ClF4N2O2/c18-13-4-3-10(7-12(13)17(20,21)22)23-15(25)11-5-8-1-2-9(19)6-14(8)24-16(11)26/h1-7H,(H,23,25)(H,24,26)
InChIKeyYSLNQSJFRZYHMY-UHFFFAOYSA-N
MW384.72 g/mol
LogP4.59
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110427041) has the molecular formula C17H9ClF4N2O2 and a molecular weight of 384.72 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110427041
Molecular FormulaC17H9ClF4N2O2
Molecular Weight384.72 g/mol
Exact Mass384.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C17H9ClF4N2O2/c18-13-4-3-10(7-12(13)17(20,21)22)23-15(25)11-5-8-1-2-9(19)6-14(8)24-16(11)26/h1-7H,(H,23,25)(H,24,26)
InChIKeyYSLNQSJFRZYHMY-UHFFFAOYSA-N
XLogP4.59
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.72
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78903769
ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 110426635
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16776516
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110623374
N-(3-chloro-4-fluorophenyl)-6-fluoro-1H-indole-2-carboxamide
CID 113207472
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 7930859
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110863765
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine
CID 147351082

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide (CID 110427041) is N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YSLNQSJFRZYHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF4N2O2/c18-13-4-3-10(7-12(13)17(20,21)22)23-15(25)11-5-8-1-2-9(19)6-14(8)24-16(11)26/h1-7H,(H,23,25)(H,24,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 384.72 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110427041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).