N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide

C19H21FN2O2 — CID 56525325

IUPACN-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide
SMILESCCN(CCC(=O)Nc1ccc(C(C)=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-3-22(18-10-6-16(20)7-11-18)13-12-19(24)21-17-8-4-15(5-9-17)14(2)23/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyLUQAHWCMJNEICR-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.88
Rot. Bonds7

About N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide

N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide (PubChem CID 56525325) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide
PubChem CID56525325
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide
SMILESCCN(CCC(=O)Nc1ccc(C(C)=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-3-22(18-10-6-16(20)7-11-18)13-12-19(24)21-17-8-4-15(5-9-17)14(2)23/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyLUQAHWCMJNEICR-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30898777
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
ethyl 2-[[3-(4-acetylanilino)-3-oxopropyl]-[(4-fluorophenyl)methyl]amino]acetate
CID 56526071
3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide
CID 24588858
[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067520
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636
3-(N-acetyl-3,4-difluoroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113135622
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone
CID 123268766

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide (CID 56525325) is N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide is CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide?
The InChIKey is LUQAHWCMJNEICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-3-22(18-10-6-16(20)7-11-18)13-12-19(24)21-17-8-4-15(5-9-17)14(2)23/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide?
N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide has a molecular weight of 328.39 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide is sourced from PubChem (CID 56525325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).