N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide

C17H16Cl2N2O3 — CID 108955242

IUPACN'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-10-3-5-12(8-13(10)19)20-16(22)9-17(23)21-14-7-11(18)4-6-15(14)24-2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWUDLKNWGFANFNM-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.28
Rot. Bonds5

About N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide

N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide (PubChem CID 108955242) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide
PubChem CID108955242
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-10-3-5-12(8-13(10)19)20-16(22)9-17(23)21-14-7-11(18)4-6-15(14)24-2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWUDLKNWGFANFNM-UHFFFAOYSA-N
XLogP4.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.28
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-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide
CID 108953026
N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
CID 108955190
2-(5-chloro-2-methoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 109008877
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(1,3-benzodioxol-5-yl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955463
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide (CID 108955242) is N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide is COc1ccc(Cl)cc1NC(=O)CC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide?
The InChIKey is WUDLKNWGFANFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-10-3-5-12(8-13(10)19)20-16(22)9-17(23)21-14-7-11(18)4-6-15(14)24-2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide?
N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide has a molecular weight of 367.23 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide is sourced from PubChem (CID 108955242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).