N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide

C17H15Cl2NO2 — CID 100606597

IUPACN-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2NO2/c1-11(21)13-3-2-4-15(9-13)20-17(22)8-6-12-5-7-14(18)10-16(12)19/h2-5,7,9-10H,6,8H2,1H3,(H,20,22)
InChIKeyHTPXLZJKOPKKFA-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.77
Rot. Bonds5

About N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide

N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide (PubChem CID 100606597) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
PubChem CID100606597
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC NameN-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2NO2/c1-11(21)13-3-2-4-15(9-13)20-17(22)8-6-12-5-7-14(18)10-16(12)19/h2-5,7,9-10H,6,8H2,1H3,(H,20,22)
InChIKeyHTPXLZJKOPKKFA-UHFFFAOYSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931
3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 100606198
3-(2,4-dichlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 55567336
N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide
CID 108986646
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
2-(3-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 109007008
N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide
CID 109033478
3-(2,4-dichlorophenyl)-N-naphthalen-2-ylpropanamide
CID 100605346
3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
CID 113133926
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606713
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide (CID 100606597) is N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide is CC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide?
The InChIKey is HTPXLZJKOPKKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c1-11(21)13-3-2-4-15(9-13)20-17(22)8-6-12-5-7-14(18)10-16(12)19/h2-5,7,9-10H,6,8H2,1H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide?
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide has a molecular weight of 336.22 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 100606597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).