N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C21H23FN2O2 — CID 113164391

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CCc1ccc(F)cc1)CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H23FN2O2/c1-16(25)23(14-12-17-8-10-19(22)11-9-17)15-21(26)24-13-4-6-18-5-2-3-7-20(18)24/h2-3,5,7-11H,4,6,12-15H2,1H3
InChIKeyVHRVEFAJUBCXKS-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 113164391) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID113164391
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CCc1ccc(F)cc1)CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H23FN2O2/c1-16(25)23(14-12-17-8-10-19(22)11-9-17)15-21(26)24-13-4-6-18-5-2-3-7-20(18)24/h2-3,5,7-11H,4,6,12-15H2,1H3
InChIKeyVHRVEFAJUBCXKS-UHFFFAOYSA-N
XLogP3.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113165464
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157998
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 113160669
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide
CID 113118805
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)acetamide
CID 113132426
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 113140362
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108505672
N-butan-2-yl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113159104
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110370861
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026189
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108953370
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 113164391) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(=O)N(CCc1ccc(F)cc1)CC(=O)N1CCCc2ccccc21.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is VHRVEFAJUBCXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-16(25)23(14-12-17-8-10-19(22)11-9-17)15-21(26)24-13-4-6-18-5-2-3-7-20(18)24/h2-3,5,7-11H,4,6,12-15H2,1H3.
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 113164391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).