N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide

C25H23FN2O2 — CID 95092008

IUPACN-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C25H23FN2O2/c26-21-13-6-8-18(16-21)17-23(29)27-24(20-10-2-1-3-11-20)25(30)28-15-7-12-19-9-4-5-14-22(19)28/h1-6,8-11,13-14,16,24H,7,12,15,17H2,(H,27,29)/t24-/m0/s1
InChIKeyUAAUFVLASQKZDX-DEOSSOPVSA-N
MW402.47 g/mol
LogP4.21
Rot. Bonds5

About N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide

N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 95092008) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide
PubChem CID95092008
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC NameN-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C25H23FN2O2/c26-21-13-6-8-18(16-21)17-23(29)27-24(20-10-2-1-3-11-20)25(30)28-15-7-12-19-9-4-5-14-22(19)28/h1-6,8-11,13-14,16,24H,7,12,15,17H2,(H,27,29)/t24-/m0/s1
InChIKeyUAAUFVLASQKZDX-DEOSSOPVSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide with MolForge

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-methoxyphenyl)acetamide
CID 53125928
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 53125923
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 95091970
2-(3,4-diethoxyphenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]acetamide
CID 53125952
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 53125901
N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 95091921
N-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-methoxybenzamide
CID 95091997
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-(3-methoxyphenyl)acetamide
CID 53125892
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide
CID 53125902
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-4-ethoxybenzamide
CID 95092000
1-benzyl-3-[(1R)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]urea
CID 92881630
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 95091954

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide (CID 95092008) is N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is UAAUFVLASQKZDX-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H23FN2O2/c26-21-13-6-8-18(16-21)17-23(29)27-24(20-10-2-1-3-11-20)25(30)28-15-7-12-19-9-4-5-14-22(19)28/h1-6,8-11,13-14,16,24H,7,12,15,17H2,(H,27,29)/t24-/m0/s1.
What are the key properties of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide?
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 402.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 95092008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).