3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide

C21H25ClN2O2 — CID 113123250

IUPAC3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(CCc2cccc(Cl)c2)C(C)=O)cc1
InChIInChI=1S/C21H25ClN2O2/c1-3-17-7-9-20(10-8-17)23-21(26)12-14-24(16(2)25)13-11-18-5-4-6-19(22)15-18/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyJAPKLCWPAVUJEC-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.32
Rot. Bonds8

About 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide

3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide (PubChem CID 113123250) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide
PubChem CID113123250
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(CCc2cccc(Cl)c2)C(C)=O)cc1
InChIInChI=1S/C21H25ClN2O2/c1-3-17-7-9-20(10-8-17)23-21(26)12-14-24(16(2)25)13-11-18-5-4-6-19(22)15-18/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyJAPKLCWPAVUJEC-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113123284
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
CID 113121533
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 113166982
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113123194
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
CID 113121447
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113166924
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide (CID 113123250) is 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCN(CCc2cccc(Cl)c2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide?
The InChIKey is JAPKLCWPAVUJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-3-17-7-9-20(10-8-17)23-21(26)12-14-24(16(2)25)13-11-18-5-4-6-19(22)15-18/h4-10,15H,3,11-14H2,1-2H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide?
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide has a molecular weight of 372.90 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 113123250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).