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

C16H16Cl2N2O2 — CID 109039656

IUPAC3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-15-4-2-13(3-5-15)20-16(21)6-7-19-14-9-11(17)8-12(18)10-14/h2-5,8-10,19H,6-7H2,1H3,(H,20,21)
InChIKeyUDJAIZUZNIIYCB-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.44
Rot. Bonds6

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

3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 109039656) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
PubChem CID109039656
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-15-4-2-13(3-5-15)20-16(21)6-7-19-14-9-11(17)8-12(18)10-14/h2-5,8-10,19H,6-7H2,1H3,(H,20,21)
InChIKeyUDJAIZUZNIIYCB-UHFFFAOYSA-N
XLogP4.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
CID 109041022
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039626
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide (CID 109039656) is 3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is UDJAIZUZNIIYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-22-15-4-2-13(3-5-15)20-16(21)6-7-19-14-9-11(17)8-12(18)10-14/h2-5,8-10,19H,6-7H2,1H3,(H,20,21).
What are the key properties of 3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide?
3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide has a molecular weight of 339.22 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 109039656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).