3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide

C17H17FN2O2 — CID 109037659

IUPAC3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
SMILESCC(=O)c1ccc(NCCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-12(21)13-2-6-15(7-3-13)19-11-10-17(22)20-16-8-4-14(18)5-9-16/h2-9,19H,10-11H2,1H3,(H,20,22)
InChIKeyQPQNZUYHCNZJOL-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.47
Rot. Bonds6

About 3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide

3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide (PubChem CID 109037659) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
PubChem CID109037659
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
SMILESCC(=O)c1ccc(NCCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-12(21)13-2-6-15(7-3-13)19-11-10-17(22)20-16-8-4-14(18)5-9-16/h2-9,19H,10-11H2,1H3,(H,20,22)
InChIKeyQPQNZUYHCNZJOL-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[3-(4-acetylanilino)-3-oxopropyl]amino]benzoate
CID 109040990
3-(4-acetylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039871
N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
CID 109041022
[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067520
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide
CID 56525325
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109041002
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide (CID 109037659) is 3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide is CC(=O)c1ccc(NCCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide?
The InChIKey is QPQNZUYHCNZJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12(21)13-2-6-15(7-3-13)19-11-10-17(22)20-16-8-4-14(18)5-9-16/h2-9,19H,10-11H2,1H3,(H,20,22).
What are the key properties of 3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide?
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide has a molecular weight of 300.33 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 109037659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).