N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide

C17H14ClF3N2O — CID 108991269

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCCc2ccccc21
InChIInChI=1S/C17H14ClF3N2O/c18-12-7-8-14(13(10-12)17(19,20)21)22-16(24)23-9-3-5-11-4-1-2-6-15(11)23/h1-2,4,6-8,10H,3,5,9H2,(H,22,24)
InChIKeyRCIKFLUHRXICTG-UHFFFAOYSA-N
MW354.76 g/mol
LogP5.34
Rot. Bonds1

About N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 108991269) has the molecular formula C17H14ClF3N2O and a molecular weight of 354.76 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID108991269
Molecular FormulaC17H14ClF3N2O
Molecular Weight354.76 g/mol
Exact Mass354.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCCc2ccccc21
InChIInChI=1S/C17H14ClF3N2O/c18-12-7-8-14(13(10-12)17(19,20)21)22-16(24)23-9-3-5-11-4-1-2-6-15(11)23/h1-2,4,6-8,10H,3,5,9H2,(H,22,24)
InChIKeyRCIKFLUHRXICTG-UHFFFAOYSA-N
XLogP5.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.76
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108531995
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid
CID 21186078
N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505647
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222522
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108967778
N-(2,4-dichlorophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141474
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 74226457
N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 108981162

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 108991269) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCCc2ccccc21.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is RCIKFLUHRXICTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O/c18-12-7-8-14(13(10-12)17(19,20)21)22-16(24)23-9-3-5-11-4-1-2-6-15(11)23/h1-2,4,6-8,10H,3,5,9H2,(H,22,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 354.76 g/mol, XLogP of 5.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 108991269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).