3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide

C21H25FN2O2 — CID 113120928

IUPAC3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NC(C)c1ccccc1)CCc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-16(18-8-4-3-5-9-18)23-21(26)13-15-24(17(2)25)14-12-19-10-6-7-11-20(19)22/h3-11,16H,12-15H2,1-2H3,(H,23,26)
InChIKeyNUGMEYQFYVGXOA-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.48
Rot. Bonds8

About 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide

3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide (PubChem CID 113120928) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
PubChem CID113120928
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NC(C)c1ccccc1)CCc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c1-16(18-8-4-3-5-9-18)23-21(26)13-15-24(17(2)25)14-12-19-10-6-7-11-20(19)22/h3-11,16H,12-15H2,1-2H3,(H,23,26)
InChIKeyNUGMEYQFYVGXOA-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
CID 113164165
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113121082
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide
CID 113118397
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 113164141
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113120912
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
CID 108945881
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113120993
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 113119070
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide
CID 113120974
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113121052

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide (CID 113120928) is 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide is CC(=O)N(CCC(=O)NC(C)c1ccccc1)CCc1ccccc1F.
What is the InChIKey of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide?
The InChIKey is NUGMEYQFYVGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-16(18-8-4-3-5-9-18)23-21(26)13-15-24(17(2)25)14-12-19-10-6-7-11-20(19)22/h3-11,16H,12-15H2,1-2H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide?
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide has a molecular weight of 356.44 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 113120928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).