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

C18H18Cl2N2O4 — CID 108955473

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C18H18Cl2N2O4/c1-10-6-13(16(26-3)8-12(10)20)21-17(23)9-18(24)22-14-7-11(19)4-5-15(14)25-2/h4-8H,9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyFBCZKHVWPYDZPO-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.29
Rot. Bonds6

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

N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide (PubChem CID 108955473) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
PubChem CID108955473
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C18H18Cl2N2O4/c1-10-6-13(16(26-3)8-12(10)20)21-17(23)9-18(24)22-14-7-11(19)4-5-15(14)25-2/h4-8H,9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyFBCZKHVWPYDZPO-UHFFFAOYSA-N
XLogP4.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide
CID 108955242
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946828
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide
CID 109011166
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109042672
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide (CID 108955473) is N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide is COc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide?
The InChIKey is FBCZKHVWPYDZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-10-6-13(16(26-3)8-12(10)20)21-17(23)9-18(24)22-14-7-11(19)4-5-15(14)25-2/h4-8H,9H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide has a molecular weight of 397.26 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide is sourced from PubChem (CID 108955473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).