N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide

C17H15Cl2N3O2 — CID 3421527

IUPACN-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NN=Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N3O2/c1-11-6-7-13(8-15(11)19)21-16(23)9-17(24)22-20-10-12-4-2-3-5-14(12)18/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyHAFKHCRDLQPHFD-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.78
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide

N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide (PubChem CID 3421527) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide
PubChem CID3421527
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NN=Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N3O2/c1-11-6-7-13(8-15(11)19)21-16(23)9-17(24)22-20-10-12-4-2-3-5-14(12)18/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyHAFKHCRDLQPHFD-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-(3-chloro-4-methylphenyl)-N'-[(2-prop-2-enoxyphenyl)methylideneamino]propanediamide
CID 3959543
N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4663988
N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3288979
N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3928053
N-(3-chloro-4-methylphenyl)-N'-[(4-hydroxyphenyl)methylideneamino]propanediamide
CID 3943298
N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
CID 108954873
N-(3,4-dimethylphenyl)-N'-[(2-hydroxyphenyl)methylideneamino]propanediamide
CID 4554672
N-(3-chloro-4-methylphenyl)-N'-[(5-chloro-2-propan-2-yloxyphenyl)methylideneamino]propanediamide
CID 4008012
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047
N'-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-chloro-4-methylphenyl)propanediamide
CID 4529232
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5033974
N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide
CID 4571711

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide (CID 3421527) is N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide is Cc1ccc(NC(=O)CC(=O)NN=Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide?
The InChIKey is HAFKHCRDLQPHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-11-6-7-13(8-15(11)19)21-16(23)9-17(24)22-20-10-12-4-2-3-5-14(12)18/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide?
N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]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-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide is sourced from PubChem (CID 3421527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).