N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide

C18H18Cl2N2O3 — CID 108946828

IUPACN'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N2O3/c1-11-7-15(16(25-2)8-14(11)20)22-18(24)9-17(23)21-10-12-3-5-13(19)6-4-12/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCRWPGPSVYHSJRE-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.96
Rot. Bonds6

About N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide (PubChem CID 108946828) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
PubChem CID108946828
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N2O3/c1-11-7-15(16(25-2)8-14(11)20)22-18(24)9-17(23)21-10-12-3-5-13(19)6-4-12/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCRWPGPSVYHSJRE-UHFFFAOYSA-N
XLogP3.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.96
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-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764
N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946767
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
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-methoxy-5-methylphenyl)-N-pentylpropanediamide
CID 108951986
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020003
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide
CID 109011166
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-[(4-chlorophenyl)methyl]propanediamide?
The IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide (CID 108946828) is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide.
What is the SMILES notation for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide?
The canonical SMILES for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide is COc1cc(Cl)c(C)cc1NC(=O)CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide?
The InChIKey is CRWPGPSVYHSJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-11-7-15(16(25-2)8-14(11)20)22-18(24)9-17(23)21-10-12-3-5-13(19)6-4-12/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide?
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide has a molecular weight of 381.26 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide is sourced from PubChem (CID 108946828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).