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

C17H16Cl2N2O2 — CID 108946767

IUPACN'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-2-5-14(19)8-15(11)21-17(23)9-16(22)20-10-12-3-6-13(18)7-4-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJGFMHBWIUCVZSY-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.95
Rot. Bonds5

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

N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide (PubChem CID 108946767) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
PubChem CID108946767
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-2-5-14(19)8-15(11)21-17(23)9-16(22)20-10-12-3-6-13(18)7-4-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJGFMHBWIUCVZSY-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108946756
1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976105
N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide
CID 108946748
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946828
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide
CID 131904454
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
N-(5-chloro-2-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955176
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947053
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide (CID 108946767) is N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide is Cc1ccc(Cl)cc1NC(=O)CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide?
The InChIKey is JGFMHBWIUCVZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11-2-5-14(19)8-15(11)21-17(23)9-16(22)20-10-12-3-6-13(18)7-4-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide?
N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide has a molecular weight of 351.23 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide is sourced from PubChem (CID 108946767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).