N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide

C17H17FN2O2 — CID 26697243

IUPACN-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-12-3-9-15(10-4-12)20-16(21)11-19-17(22)13-5-7-14(18)8-6-13/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyJLNXTPFXWRDHJN-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide

N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide (PubChem CID 26697243) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
PubChem CID26697243
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-12-3-9-15(10-4-12)20-16(21)11-19-17(22)13-5-7-14(18)8-6-13/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyJLNXTPFXWRDHJN-UHFFFAOYSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878170
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
N-[2-[(4-ethylphenyl)carbamothioylamino]ethyl]-4-fluorobenzamide
CID 47510248
N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46654046
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877432
4-[[2-(4-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54813322
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide (CID 26697243) is N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide is CCc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is JLNXTPFXWRDHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-2-12-3-9-15(10-4-12)20-16(21)11-19-17(22)13-5-7-14(18)8-6-13/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide?
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 300.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 26697243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).