3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide

C18H17F3N2O — CID 109035071

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCN1CCCc2ccccc21)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O/c19-13-7-8-14(18(21)17(13)20)22-16(24)9-11-23-10-3-5-12-4-1-2-6-15(12)23/h1-2,4,6-8H,3,5,9-11H2,(H,22,24)
InChIKeySYNWDLOZMRYARK-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.89
Rot. Bonds4

About 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 109035071) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID109035071
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCN1CCCc2ccccc21)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O/c19-13-7-8-14(18(21)17(13)20)22-16(24)9-11-23-10-3-5-12-4-1-2-6-15(12)23/h1-2,4,6-8H,3,5,9-11H2,(H,22,24)
InChIKeySYNWDLOZMRYARK-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)propanamide
CID 24588519
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109035047
3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109034854
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034835
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021063
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 109035049
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024981
N-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034841
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16591097
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 24588515
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8724752

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide (CID 109035071) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide is O=C(CCN1CCCc2ccccc21)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is SYNWDLOZMRYARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-13-7-8-14(18(21)17(13)20)22-16(24)9-11-23-10-3-5-12-4-1-2-6-15(12)23/h1-2,4,6-8H,3,5,9-11H2,(H,22,24).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 334.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 109035071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).