N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide

C19H21FN2O2 — CID 46654046

IUPACN-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCCc1ccc(C(C)NC(=O)CNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O2/c1-3-14-4-6-15(7-5-14)13(2)22-18(23)12-21-19(24)16-8-10-17(20)11-9-16/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCUARQUIWFVYIBN-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.00
Rot. Bonds6

About N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 46654046) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID46654046
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCCc1ccc(C(C)NC(=O)CNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O2/c1-3-14-4-6-15(7-5-14)13(2)22-18(23)12-21-19(24)16-8-10-17(20)11-9-16/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCUARQUIWFVYIBN-UHFFFAOYSA-N
XLogP3.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea
CID 86916186
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 41176986
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
N-[1-[1-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 75130560
N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 55948510
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide (CID 46654046) is N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide is CCc1ccc(C(C)NC(=O)CNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is CUARQUIWFVYIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-3-14-4-6-15(7-5-14)13(2)22-18(23)12-21-19(24)16-8-10-17(20)11-9-16/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 328.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 46654046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).