N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide

C18H18ClN3O4 — CID 5457575

IUPACN-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide
SMILESCOc1ccc(/C=N\NC(=O)CC(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H18ClN3O4/c1-25-15-7-6-12(8-16(15)26-2)11-20-22-18(24)10-17(23)21-14-5-3-4-13(19)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)/b20-11-
InChIKeyUDDPKQFAPTYFKL-JAIQZWGSSA-N
MW375.81 g/mol
LogP2.84
Rot. Bonds7

About N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide

N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide (PubChem CID 5457575) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide
PubChem CID5457575
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide
SMILESCOc1ccc(/C=N\NC(=O)CC(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H18ClN3O4/c1-25-15-7-6-12(8-16(15)26-2)11-20-22-18(24)10-17(23)21-14-5-3-4-13(19)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)/b20-11-
InChIKeyUDDPKQFAPTYFKL-JAIQZWGSSA-N
XLogP2.84
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-N-(5-chloro-2-methylphenyl)-2-oxoacetamide
CID 9691347
N-(3,4-Dichloro-phenyl)-2-(4-ethoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 9564200
N-(3-chlorophenyl)-N'-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 334737
2-({2-[2-(3,4-dimethoxybenzylidene)hydrazino]-2-oxoethyl}thio)-N-phenylacetamide
CID 5344803
N'-(3,4-dimethoxybenzylidene)-3-(4-phenyl-1-piperazinyl)propanohydrazide
CID 5435009
2-(2-{4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-3-methoxybenzylidene}hydrazino)-N-(3-methoxypropyl)-2-oxoacetamide
CID 9623377
2-Chloro-N-(3-{N'-[(E)-(3,4-dimethoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496308
3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135439767
2-[2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-N-(2-chlorophenyl)-2-oxoacetamide
CID 6871240
2-(N'-Benzo[1,3]dioxol-5-ylmethylene-hydrazino)-N-(3-chloro-phenyl)-2-oxo-acetamide
CID 6876706
N-(5-chloro-2-methylphenyl)-2-[2-(3-ethoxy-4-hydroxybenzylidene)hydrazino]-2-oxoacetamide
CID 135460584
N-(3,4-dichlorophenyl)-3-[2-(2-methoxybenzylidene)hydrazino]-3-oxopropanamide
CID 6876972

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide (CID 5457575) is N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide is COc1ccc(/C=N\NC(=O)CC(=O)Nc2cccc(Cl)c2)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide?
The InChIKey is UDDPKQFAPTYFKL-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-25-15-7-6-12(8-16(15)26-2)11-20-22-18(24)10-17(23)21-14-5-3-4-13(19)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)/b20-11-.
What are the key properties of N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide?
N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide has a molecular weight of 375.81 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 5457575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).