N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide

C17H15Cl2N3O4 — CID 19659942

IUPACN-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H15Cl2N3O4/c1-25-12-4-6-15(26-2)10(7-12)9-20-22-17(24)16(23)21-11-3-5-13(18)14(19)8-11/h3-9H,1-2H3,(H,21,23)(H,22,24)/b20-9+
InChIKeyRPZLONUGCOUSKY-AWQFTUOYSA-N
MW396.23 g/mol
LogP3.10
Rot. Bonds5

About N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide

N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide (PubChem CID 19659942) has the molecular formula C17H15Cl2N3O4 and a molecular weight of 396.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
PubChem CID19659942
Molecular FormulaC17H15Cl2N3O4
Molecular Weight396.23 g/mol
Exact Mass395.04
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H15Cl2N3O4/c1-25-12-4-6-15(26-2)10(7-12)9-20-22-17(24)16(23)21-11-3-5-13(18)14(19)8-11/h3-9H,1-2H3,(H,21,23)(H,22,24)/b20-9+
InChIKeyRPZLONUGCOUSKY-AWQFTUOYSA-N
XLogP3.10
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-methyloxamide
CID 126140196
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 94846398
N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355357
[4-[[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 4687974
N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 6876538
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N'-[(E)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 19658472
[4-[[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
CID 4079125
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 4071709
N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
CID 94833531
methyl 2-[4-[(Z)-[[2-(3-chloro-4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 94832891
N'-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8988867

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide (CID 19659942) is N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide is COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is RPZLONUGCOUSKY-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O4/c1-25-12-4-6-15(26-2)10(7-12)9-20-22-17(24)16(23)21-11-3-5-13(18)14(19)8-11/h3-9H,1-2H3,(H,21,23)(H,22,24)/b20-9+.
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide?
N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 396.23 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 19659942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).