3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide

C18H19FN2O2 — CID 113118291

IUPAC3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-14(22)21(13-15-5-3-2-4-6-15)12-11-18(23)20-17-9-7-16(19)8-10-17/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyZAGYYHHSKQWCAJ-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.20
Rot. Bonds6

About 3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide

3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide (PubChem CID 113118291) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
PubChem CID113118291
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-14(22)21(13-15-5-3-2-4-6-15)12-11-18(23)20-17-9-7-16(19)8-10-17/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyZAGYYHHSKQWCAJ-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113119958
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113119361
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113122095
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 113119354
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
CID 113119196

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide (CID 113118291) is 3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide?
The InChIKey is ZAGYYHHSKQWCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-14(22)21(13-15-5-3-2-4-6-15)12-11-18(23)20-17-9-7-16(19)8-10-17/h2-10H,11-13H2,1H3,(H,20,23).
What are the key properties of 3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide?
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide has a molecular weight of 314.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 113118291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).