N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide

C17H15Cl2N3O2 — CID 5033974

IUPACN'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)NN=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2N3O2/c1-11-5-2-3-8-14(11)21-15(23)9-16(24)22-20-10-12-6-4-7-13(18)17(12)19/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyXYPKVQANDUSEIY-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.78
Rot. Bonds5

About N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide

N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide (PubChem CID 5033974) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
PubChem CID5033974
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC NameN'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)NN=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2N3O2/c1-11-5-2-3-8-14(11)21-15(23)9-16(24)22-20-10-12-6-4-7-13(18)17(12)19/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyXYPKVQANDUSEIY-UHFFFAOYSA-N
XLogP3.78
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.78
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-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 135717008
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066
N-(2,3-dichlorophenyl)-N'-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]propanediamide
CID 5022828
N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide
CID 3421527
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-(2,3-dichlorophenyl)-N'-[(2-prop-2-enoxyphenyl)methylideneamino]propanediamide
CID 5154234
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
2-[[4-amino-5-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 17074655
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 136861998
N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5024067

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide?
The IUPAC name of N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide (CID 5033974) is N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide.
What is the SMILES notation for N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide?
The canonical SMILES for N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide is Cc1ccccc1NC(=O)CC(=O)NN=Cc1cccc(Cl)c1Cl.
What is the InChIKey of N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide?
The InChIKey is XYPKVQANDUSEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-11-5-2-3-8-14(11)21-15(23)9-16(24)22-20-10-12-6-4-7-13(18)17(12)19/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide?
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide has a molecular weight of 364.23 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide is sourced from PubChem (CID 5033974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).