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

C19H21ClN2O2 — CID 113120836

IUPAC3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)CCc1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-15(23)22(13-11-16-5-3-2-4-6-16)14-12-19(24)21-18-9-7-17(20)8-10-18/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyBGCXWAVUAVUXMO-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.76
Rot. Bonds7

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

3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide (PubChem CID 113120836) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
PubChem CID113120836
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)CCc1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-15(23)22(13-11-16-5-3-2-4-6-16)14-12-19(24)21-18-9-7-17(20)8-10-18/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyBGCXWAVUAVUXMO-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.76
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
N-(4-chlorophenyl)-3-[methyl(3-phenylpropyl)amino]propanamide
CID 55850747
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818
3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113120869
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide
CID 113123250
3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 113120870
3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide
CID 113122324
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121992
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120649

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide (CID 113120836) is 3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)CCc1ccccc1.
What is the InChIKey of 3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide?
The InChIKey is BGCXWAVUAVUXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-15(23)22(13-11-16-5-3-2-4-6-16)14-12-19(24)21-18-9-7-17(20)8-10-18/h2-10H,11-14H2,1H3,(H,21,24).
What are the key properties of 3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide?
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide has a molecular weight of 344.84 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 113120836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).