2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

C17H13F5N2O — CID 34008980

IUPAC2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1CCCc2cc(F)cc(F)c21)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F5N2O/c18-10-6-9-2-1-5-24(17(9)12(20)7-10)8-14(25)23-13-4-3-11(19)15(21)16(13)22/h3-4,6-7H,1-2,5,8H2,(H,23,25)
InChIKeyVPXGAOQUVQGSIJ-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.77
Rot. Bonds3

About 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 34008980) has the molecular formula C17H13F5N2O and a molecular weight of 356.29 g/mol. Its IUPAC name is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID34008980
Molecular FormulaC17H13F5N2O
Molecular Weight356.29 g/mol
Exact Mass356.09
IUPAC Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1CCCc2cc(F)cc(F)c21)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F5N2O/c18-10-6-9-2-1-5-24(17(9)12(20)7-10)8-14(25)23-13-4-3-11(19)15(21)16(13)22/h3-4,6-7H,1-2,5,8H2,(H,23,25)
InChIKeyVPXGAOQUVQGSIJ-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.77
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

2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 37383606
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 43065879
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 34008890
N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 34010060
N-(2-chloro-5-methylsulfonylphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 34009525
N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide
CID 43065952
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide
CID 34009318
N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 43065906
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide
CID 43065858
3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 43065986
N-(1-acetylpiperidin-4-yl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 55627158

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 34008980) is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(CN1CCCc2cc(F)cc(F)c21)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is VPXGAOQUVQGSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O/c18-10-6-9-2-1-5-24(17(9)12(20)7-10)8-14(25)23-13-4-3-11(19)15(21)16(13)22/h3-4,6-7H,1-2,5,8H2,(H,23,25).
What are the key properties of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 356.29 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 34008980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).