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

C16H13Cl2N3O4 — CID 135606817

IUPACN-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1O
InChIInChI=1S/C16H13Cl2N3O4/c1-25-13-4-2-3-9(14(13)22)8-19-21-16(24)15(23)20-10-5-6-11(17)12(18)7-10/h2-8,22H,1H3,(H,20,23)(H,21,24)/b19-8+
InChIKeyNSTZQFZWWXUHGR-UFWORHAWSA-N
MW382.20 g/mol
LogP2.80
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (PubChem CID 135606817) has the molecular formula C16H13Cl2N3O4 and a molecular weight of 382.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
PubChem CID135606817
Molecular FormulaC16H13Cl2N3O4
Molecular Weight382.20 g/mol
Exact Mass381.03
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1O
InChIInChI=1S/C16H13Cl2N3O4/c1-25-13-4-2-3-9(14(13)22)8-19-21-16(24)15(23)20-10-5-6-11(17)12(18)7-10/h2-8,22H,1H3,(H,20,23)(H,21,24)/b19-8+
InChIKeyNSTZQFZWWXUHGR-UFWORHAWSA-N
XLogP2.80
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-(3-chlorophenyl)-N'-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 334737
N-(3-chlorophenyl)-3-[(2Z)-2-(3,4-dimethoxybenzylidene)hydrazino]-3-oxopropanamide
CID 5457575
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
2-(2-(2-(Benzyloxy)benzylidene)hydrazino)-N-(3,4-dichlorophenyl)-2-oxoacetamide
CID 6872462
N-(4-chlorophenyl)-N'-[(E)-(3-methoxyphenyl)methylideneamino]oxamide
CID 6896410
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
2-(2-(2-Hydroxy-3-methoxybenzylidene)hydrazino)-2-oxo-N-phenylacetamide
CID 135459059
2-(2-(4-Hydroxy-3-methoxybenzylidene)hydrazino)-2-oxo-N-phenylacetamide
CID 135537494
2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methyleneamino]acetamide
CID 71624539
(4E)-1-(3,4-Dichlorophenyl)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 135470761

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (CID 135606817) is N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1O.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is NSTZQFZWWXUHGR-UFWORHAWSA-N. The full InChI is InChI=1S/C16H13Cl2N3O4/c1-25-13-4-2-3-9(14(13)22)8-19-21-16(24)15(23)20-10-5-6-11(17)12(18)7-10/h2-8,22H,1H3,(H,20,23)(H,21,24)/b19-8+.
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 382.20 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135606817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).