N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide

C17H15Cl2N3O2 — CID 4571509

IUPACN-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
SMILESCc1ccc(C=NNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H15Cl2N3O2/c1-11-2-4-12(5-3-11)10-20-22-17(24)9-16(23)21-13-6-7-14(18)15(19)8-13/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyNNPMZFOCGXFDSI-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.78
Rot. Bonds5

About N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide

N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide (PubChem CID 4571509) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
PubChem CID4571509
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
SMILESCc1ccc(C=NNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H15Cl2N3O2/c1-11-2-4-12(5-3-11)10-20-22-17(24)9-16(23)21-13-6-7-14(18)15(19)8-13/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyNNPMZFOCGXFDSI-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-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
CID 136773637
N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
CID 689612
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-ethoxyphenyl)methylideneamino]propanediamide
CID 5440770
N-(3-chloro-4-methylphenyl)-N'-[(4-hydroxyphenyl)methylideneamino]propanediamide
CID 3943298
N-(3,4-dichlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135419540
N-(3,4-dichlorophenyl)-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 171979471
N-(3,4-dichlorophenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 6297265
(2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 7072993
N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide
CID 4571711
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
CID 4242153
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
CID 135479503
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170937

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide (CID 4571509) is N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide is Cc1ccc(C=NNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide?
The InChIKey is NNPMZFOCGXFDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-11-2-4-12(5-3-11)10-20-22-17(24)9-16(23)21-13-6-7-14(18)15(19)8-13/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide?
N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)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-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 4571509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).