N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide

C18H17Cl2N3O3 — CID 4571711

IUPACN-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide
SMILESCOc1ccc(C=NNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C18H17Cl2N3O3/c1-11-7-14(26-2)5-3-12(11)10-21-23-18(25)9-17(24)22-13-4-6-15(19)16(20)8-13/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyAHSRGNFZEQQTKY-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.79
Rot. Bonds6

About N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide

N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide (PubChem CID 4571711) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide
PubChem CID4571711
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide
SMILESCOc1ccc(C=NNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C18H17Cl2N3O3/c1-11-7-14(26-2)5-3-12(11)10-21-23-18(25)9-17(24)22-13-4-6-15(19)16(20)8-13/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyAHSRGNFZEQQTKY-UHFFFAOYSA-N
XLogP3.79
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135716686
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3928053
N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
CID 135679057
N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
CID 4571509
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-ethoxyphenyl)methylideneamino]propanediamide
CID 5440770
N-(3,4-dichlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135419540
N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide
CID 3421527
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135821656
N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide
CID 4290564
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3295281
N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
CID 19659942

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide (CID 4571711) is N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide is COc1ccc(C=NNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide?
The InChIKey is AHSRGNFZEQQTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c1-11-7-14(26-2)5-3-12(11)10-21-23-18(25)9-17(24)22-13-4-6-15(19)16(20)8-13/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide?
N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide has a molecular weight of 394.26 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 4571711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).