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

C20H23FN2O2 — CID 113119327

IUPAC3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(Cc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C20H23FN2O2/c1-3-16-6-10-19(11-7-16)22-20(25)12-13-23(15(2)24)14-17-4-8-18(21)9-5-17/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyRQZKCHIAOOXTEZ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.77
Rot. Bonds7

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

3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide (PubChem CID 113119327) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
PubChem CID113119327
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(Cc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C20H23FN2O2/c1-3-16-6-10-19(11-7-16)22-20(25)12-13-23(15(2)24)14-17-4-8-18(21)9-5-17/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyRQZKCHIAOOXTEZ-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)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-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113119958
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119947
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
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-ethylphenyl)acetamide
CID 113164399
ethyl 4-[3-[acetyl-[(4-methylphenyl)methyl]amino]propanoylamino]benzoate
CID 113118870
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide
CID 113121149
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 113119354
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113118858

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide (CID 113119327) is 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCN(Cc2ccc(F)cc2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide?
The InChIKey is RQZKCHIAOOXTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-3-16-6-10-19(11-7-16)22-20(25)12-13-23(15(2)24)14-17-4-8-18(21)9-5-17/h4-11H,3,12-14H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide?
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide has a molecular weight of 342.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 113119327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).