N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide

C18H17Cl2N3O2 — CID 3337673

IUPACN'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NN=Cc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C18H17Cl2N3O2/c1-11-3-6-16(12(2)7-11)22-17(24)9-18(25)23-21-10-13-4-5-14(19)8-15(13)20/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyILOPRPRHUQDORH-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.09
Rot. Bonds5

About N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide

N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide (PubChem CID 3337673) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
PubChem CID3337673
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NN=Cc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C18H17Cl2N3O2/c1-11-3-6-16(12(2)7-11)22-17(24)9-18(25)23-21-10-13-4-5-14(19)8-15(13)20/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyILOPRPRHUQDORH-UHFFFAOYSA-N
XLogP4.09
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630450
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 3426233
2-[[4-amino-5-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 17049500
N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 4044736
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide
CID 6871449
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 4270382
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide?
The IUPAC name of N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide (CID 3337673) is N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide.
What is the SMILES notation for N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide?
The canonical SMILES for N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)NN=Cc2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide?
The InChIKey is ILOPRPRHUQDORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-11-3-6-16(12(2)7-11)22-17(24)9-18(25)23-21-10-13-4-5-14(19)8-15(13)20/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide?
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide has a molecular weight of 378.26 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide is sourced from PubChem (CID 3337673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).