4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide

C18H18Cl2N2O2 — CID 92851593

IUPAC4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-22(2)18(24)13-4-8-15(9-5-13)21-17(23)10-6-12-3-7-14(19)11-16(12)20/h3-5,7-9,11H,6,10H2,1-2H3,(H,21,23)
InChIKeyMHLRDLTWECQTBE-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.27
Rot. Bonds5

About 4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide

4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide (PubChem CID 92851593) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
PubChem CID92851593
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-22(2)18(24)13-4-8-15(9-5-13)21-17(23)10-6-12-3-7-14(19)11-16(12)20/h3-5,7-9,11H,6,10H2,1-2H3,(H,21,23)
InChIKeyMHLRDLTWECQTBE-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606713
3-(2,4-dichlorophenyl)-N-naphthalen-2-ylpropanamide
CID 100605346
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 55802304
4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17230319
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 26507194
3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide
CID 109033457
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839553
3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 100606198
2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 110633818

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide (CID 92851593) is 4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide?
The InChIKey is MHLRDLTWECQTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-22(2)18(24)13-4-8-15(9-5-13)21-17(23)10-6-12-3-7-14(19)11-16(12)20/h3-5,7-9,11H,6,10H2,1-2H3,(H,21,23).
What are the key properties of 4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide?
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide has a molecular weight of 365.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 92851593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).