3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide

C21H25FN2O2 — CID 113121082

IUPAC3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NC(C)c1ccccc1)CCc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2/c1-16(19-6-4-3-5-7-19)23-21(26)13-15-24(17(2)25)14-12-18-8-10-20(22)11-9-18/h3-11,16H,12-15H2,1-2H3,(H,23,26)
InChIKeyCOSBPVIFHDDACP-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.48
Rot. Bonds8

About 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide

3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide (PubChem CID 113121082) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
PubChem CID113121082
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NC(C)c1ccccc1)CCc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2/c1-16(19-6-4-3-5-7-19)23-21(26)13-15-24(17(2)25)14-12-18-8-10-20(22)11-9-18/h3-11,16H,12-15H2,1-2H3,(H,23,26)
InChIKeyCOSBPVIFHDDACP-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-(4-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

3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113120928
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121143
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide
CID 113118397
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
CID 113164165
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113120880
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide
CID 113121149
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide (CID 113121082) is 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide is CC(=O)N(CCC(=O)NC(C)c1ccccc1)CCc1ccc(F)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide?
The InChIKey is COSBPVIFHDDACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-16(19-6-4-3-5-7-19)23-21(26)13-15-24(17(2)25)14-12-18-8-10-20(22)11-9-18/h3-11,16H,12-15H2,1-2H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide?
3-[acetyl-[2-(4-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-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 113121082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).