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

C17H15F3N2O — CID 894781

IUPACN-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCCc2ccccc21
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)13-7-3-8-14(11-13)21-16(23)22-10-4-6-12-5-1-2-9-15(12)22/h1-3,5,7-9,11H,4,6,10H2,(H,21,23)
InChIKeyNTANCIYEEZZREV-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.69
Rot. Bonds1

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

N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 894781) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID894781
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC NameN-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCCc2ccccc21
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)13-7-3-8-14(11-13)21-16(23)22-10-4-6-12-5-1-2-9-15(12)22/h1-3,5,7-9,11H,4,6,10H2,(H,21,23)
InChIKeyNTANCIYEEZZREV-UHFFFAOYSA-N
XLogP4.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 46382952
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16548505
3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841691
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108991269
1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
CID 54030708
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone
CID 109176438
2-acetyl-N-[3-(trifluoromethyl)phenyl]diazinane-1-carboxamide
CID 139071679
2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109356630
N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 90565791

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 894781) is N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCCc2ccccc21.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is NTANCIYEEZZREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c18-17(19,20)13-7-3-8-14(11-13)21-16(23)22-10-4-6-12-5-1-2-9-15(12)22/h1-3,5,7-9,11H,4,6,10H2,(H,21,23).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 894781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).