N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide

C17H16Cl2N2O2 — CID 109041021

IUPACN-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(22)12-2-5-14(6-3-12)21-17(23)8-9-20-16-10-13(18)4-7-15(16)19/h2-7,10,20H,8-9H2,1H3,(H,21,23)
InChIKeyDRQVWJNQHLCLQK-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.64
Rot. Bonds6

About N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide

N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide (PubChem CID 109041021) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide
PubChem CID109041021
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(22)12-2-5-14(6-3-12)21-17(23)8-9-20-16-10-13(18)4-7-15(16)19/h2-7,10,20H,8-9H2,1H3,(H,21,23)
InChIKeyDRQVWJNQHLCLQK-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037695
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
CID 109041022
3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038514
N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108969771
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038924
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
methyl 4-chloro-3-[[3-(3-chloroanilino)-3-oxopropyl]amino]benzoate
CID 109037981
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 47824671
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide (CID 109041021) is N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide is CC(=O)c1ccc(NC(=O)CCNc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide?
The InChIKey is DRQVWJNQHLCLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11(22)12-2-5-14(6-3-12)21-17(23)8-9-20-16-10-13(18)4-7-15(16)19/h2-7,10,20H,8-9H2,1H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide?
N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide has a molecular weight of 351.23 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide is sourced from PubChem (CID 109041021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).