N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide

C16H14Cl2N2O3 — CID 108955596

IUPACN'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-11-5-2-4-10(8-11)19-14(21)9-15(22)20-16-12(17)6-3-7-13(16)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyCGOUYHILJTZZGF-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.97
Rot. Bonds5

About N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide

N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide (PubChem CID 108955596) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
PubChem CID108955596
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-11-5-2-4-10(8-11)19-14(21)9-15(22)20-16-12(17)6-3-7-13(16)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyCGOUYHILJTZZGF-UHFFFAOYSA-N
XLogP3.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 43405262
N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide
CID 108953078
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide
CID 108956848
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
CID 109039529
N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
CID 108949835
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 879766
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198306

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide?
The IUPAC name of N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide (CID 108955596) is N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide is COc1cccc(NC(=O)CC(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide?
The InChIKey is CGOUYHILJTZZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-23-11-5-2-4-10(8-11)19-14(21)9-15(22)20-16-12(17)6-3-7-13(16)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide?
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide has a molecular weight of 353.21 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide is sourced from PubChem (CID 108955596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).