2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide

C18H19FN2O2 — CID 126842809

IUPAC2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide
SMILESCC(=O)NC(Cc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H19FN2O2/c1-12-3-9-16(10-4-12)21-18(23)17(20-13(2)22)11-14-5-7-15(19)8-6-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZZFYXOUENNMIOU-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.82
Rot. Bonds5

About 2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide

2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide (PubChem CID 126842809) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide
PubChem CID126842809
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide
SMILESCC(=O)NC(Cc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H19FN2O2/c1-12-3-9-16(10-4-12)21-18(23)17(20-13(2)22)11-14-5-7-15(19)8-6-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZZFYXOUENNMIOU-UHFFFAOYSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide (CID 126842809) is 2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide is CC(=O)NC(Cc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide?
The InChIKey is ZZFYXOUENNMIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-3-9-16(10-4-12)21-18(23)17(20-13(2)22)11-14-5-7-15(19)8-6-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide?
2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide has a molecular weight of 314.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-fluorophenyl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 126842809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).