N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide

C16H16Cl2N2O2 — CID 109039721

IUPACN-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-15-4-2-13(3-5-15)19-7-6-16(21)20-14-9-11(17)8-12(18)10-14/h2-5,8-10,19H,6-7H2,1H3,(H,20,21)
InChIKeyRHLFMVZYOZYHMH-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.44
Rot. Bonds6

About N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide

N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide (PubChem CID 109039721) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
PubChem CID109039721
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC NameN-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-15-4-2-13(3-5-15)19-7-6-16(21)20-14-9-11(17)8-12(18)10-14/h2-5,8-10,19H,6-7H2,1H3,(H,20,21)
InChIKeyRHLFMVZYOZYHMH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039656
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039626
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
CID 109041022
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide
CID 108951370
3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide (CID 109039721) is N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide is COc1ccc(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide?
The InChIKey is RHLFMVZYOZYHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-22-15-4-2-13(3-5-15)19-7-6-16(21)20-14-9-11(17)8-12(18)10-14/h2-5,8-10,19H,6-7H2,1H3,(H,20,21).
What are the key properties of N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide?
N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)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 N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide is sourced from PubChem (CID 109039721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).