3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide

C18H16Cl2N2O4 — CID 113134144

IUPAC3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O4/c1-11(23)22(15-7-12(19)6-13(20)8-15)5-4-18(24)21-14-2-3-16-17(9-14)26-10-25-16/h2-3,6-9H,4-5,10H2,1H3,(H,21,24)
InChIKeyPYXFAARSPXZROT-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.10
Rot. Bonds5

About 3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide

3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide (PubChem CID 113134144) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is 3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide
PubChem CID113134144
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC Name3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O4/c1-11(23)22(15-7-12(19)6-13(20)8-15)5-4-18(24)21-14-2-3-16-17(9-14)26-10-25-16/h2-3,6-9H,4-5,10H2,1H3,(H,21,24)
InChIKeyPYXFAARSPXZROT-UHFFFAOYSA-N
XLogP4.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113132915
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(3,4-dichlorophenyl)propanamide
CID 113132955
2-(N-acetyl-3,5-dichloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113179927
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113133087
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(1,3-benzodioxol-5-yl)propanamide
CID 113128340
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)propanamide
CID 113132890
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)propanamide
CID 113128561
3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
CID 113134105
3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113134123
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113127938
methyl 4-[3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoylamino]benzoate
CID 113132944
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113132956

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide?
The IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide (CID 113134144) is 3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide is CC(=O)N(CCC(=O)Nc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide?
The InChIKey is PYXFAARSPXZROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-11(23)22(15-7-12(19)6-13(20)8-15)5-4-18(24)21-14-2-3-16-17(9-14)26-10-25-16/h2-3,6-9H,4-5,10H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide?
3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide has a molecular weight of 395.24 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide is sourced from PubChem (CID 113134144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).