3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide

C19H20Cl2N2O2 — CID 113119048

IUPAC3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1Cl)C(C)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(15-6-4-3-5-7-15)23(14(2)24)11-10-19(25)22-18-9-8-16(20)12-17(18)21/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)
InChIKeyYJIDKGRSZRJXJD-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.93
Rot. Bonds6

About 3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide

3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide (PubChem CID 113119048) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide
PubChem CID113119048
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1Cl)C(C)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(15-6-4-3-5-7-15)23(14(2)24)11-10-19(25)22-18-9-8-16(20)12-17(18)21/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)
InChIKeyYJIDKGRSZRJXJD-UHFFFAOYSA-N
XLogP4.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
CID 63323928
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
CID 113119056
N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide
CID 113119025
N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
CID 109036579
2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
CID 113162054
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094
2-[acetyl(1-phenylethyl)amino]-N-(3,5-dichlorophenyl)acetamide
CID 113162117
5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid
CID 3527974
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113119018

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide (CID 113119048) is 3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Cl)cc1Cl)C(C)c1ccccc1.
What is the InChIKey of 3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is YJIDKGRSZRJXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-13(15-6-4-3-5-7-15)23(14(2)24)11-10-19(25)22-18-9-8-16(20)12-17(18)21/h3-9,12-13H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide?
3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 379.29 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 113119048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).