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

C17H16Cl2N2O2 — CID 109041022

IUPACN-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(22)12-2-4-15(5-3-12)21-17(23)6-7-20-16-9-13(18)8-14(19)10-16/h2-5,8-10,20H,6-7H2,1H3,(H,21,23)
InChIKeyNQJHQTFDRYNYSH-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.64
Rot. Bonds6

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

N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide (PubChem CID 109041022) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
PubChem CID109041022
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(22)12-2-4-15(5-3-12)21-17(23)6-7-20-16-9-13(18)8-14(19)10-16/h2-5,8-10,20H,6-7H2,1H3,(H,21,23)
InChIKeyNQJHQTFDRYNYSH-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-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039656
N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109041021
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
methyl 4-[[3-(4-acetylanilino)-3-oxopropyl]amino]benzoate
CID 109040990
3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038514
N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038924
N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721
3-(4-acetylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039871
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone
CID 139706215
N-(4-acetylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109041036

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide (CID 109041022) is N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide is CC(=O)c1ccc(NC(=O)CCNc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide?
The InChIKey is NQJHQTFDRYNYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11(22)12-2-4-15(5-3-12)21-17(23)6-7-20-16-9-13(18)8-14(19)10-16/h2-5,8-10,20H,6-7H2,1H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide?
N-(4-acetylphenyl)-3-(3,5-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-(3,5-dichloroanilino)propanamide is sourced from PubChem (CID 109041022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).