N-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide

C17H15Cl2N3O3 — CID 6876972

IUPACN-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide
SMILESCOc1ccccc1/C=N/NC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O3/c1-25-15-5-3-2-4-11(15)10-20-22-17(24)9-16(23)21-12-6-7-13(18)14(19)8-12/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)/b20-10+
InChIKeyJEZAMMVGHIZXRH-KEBDBYFISA-N
MW380.23 g/mol
LogP3.48
Rot. Bonds6

About N-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide

N-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide (PubChem CID 6876972) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide
PubChem CID6876972
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide
SMILESCOc1ccccc1/C=N/NC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O3/c1-25-15-5-3-2-4-11(15)10-20-22-17(24)9-16(23)21-12-6-7-13(18)14(19)8-12/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)/b20-10+
InChIKeyJEZAMMVGHIZXRH-KEBDBYFISA-N
XLogP3.48
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.48
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-Dichloro-phenyl)-2-(4-ethoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 9564200
N-(3,4-dichlorophenyl)-3-[(2E)-2-(4-hydroxybenzylidene)hydrazino]-3-oxopropanamide
CID 135479506
N-(3-chlorophenyl)-3-[(2Z)-2-(3,4-dimethoxybenzylidene)hydrazino]-3-oxopropanamide
CID 5457575
2-(2-(2-(Benzyloxy)benzylidene)hydrazino)-N-(3,4-dichlorophenyl)-2-oxoacetamide
CID 6872462
2-(2-(4-Chlorobenzylidene)hydrazino)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 6896356
N-(3,4-Dichlorophenyl)-2-(2-(4-methoxybenzylidene)hydrazino)-2-oxoacetamide
CID 9590877
N-(2,3-Dichlorophenyl)-2-(2-(3-methoxybenzylidene)hydrazino)-2-oxoacetamide
CID 9591859
(4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 1270516
1-(3,4-Dichlorophenyl)-4-(2-methoxybenzylidene)pyrazolidine-3,5-dione
CID 44592293
2-(2-(2-(Allyloxy)-5-bromobenzylidene)hydrazino)-N-(3,4-DI-CL-PH)-2-oxoacetamide
CID 9608104
N-(3,4-DI-CL-PH)-2-Oxo-2(2-((4-oxo-4H-chromen-3-YL)methylene)hydrazino)acetamide
CID 9625868
N-(2-Chlorophenyl)-2-(2-(2-ethoxybenzylidene)hydrazino)-2-oxoacetamide
CID 9629182

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide (CID 6876972) is N-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide is COc1ccccc1/C=N/NC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide?
The InChIKey is JEZAMMVGHIZXRH-KEBDBYFISA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-25-15-5-3-2-4-11(15)10-20-22-17(24)9-16(23)21-12-6-7-13(18)14(19)8-12/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24)/b20-10+.
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide?
N-(3,4-dichlorophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide has a molecular weight of 380.23 g/mol, XLogP of 3.48, 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'-[(E)-(2-methoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 6876972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).