N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

C19H13Cl2N3O3 — CID 135592737

IUPACN-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H13Cl2N3O3/c20-15-7-6-12(9-16(15)21)23-18(26)19(27)24-22-10-14-13-4-2-1-3-11(13)5-8-17(14)25/h1-10,25H,(H,23,26)(H,24,27)/b22-10+
InChIKeySMWAWTSLYXZQTM-LSHDLFTRSA-N
MW402.24 g/mol
LogP3.94
Rot. Bonds3

About N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (PubChem CID 135592737) has the molecular formula C19H13Cl2N3O3 and a molecular weight of 402.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
PubChem CID135592737
Molecular FormulaC19H13Cl2N3O3
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H13Cl2N3O3/c20-15-7-6-12(9-16(15)21)23-18(26)19(27)24-22-10-14-13-4-2-1-3-11(13)5-8-17(14)25/h1-10,25H,(H,23,26)(H,24,27)/b22-10+
InChIKeySMWAWTSLYXZQTM-LSHDLFTRSA-N
XLogP3.94
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
2-[(4-Fluorophenyl)amino]-N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]acetohydrazide
CID 135745098
N(2,3-Dichlorophenyl)-2-(2-((2-HO-1-naphthyl)methylene)hydrazino)-2-oxoacetamide
CID 135420130
2-(4-chloro-2-methylanilino)-N'-[(2-hydroxy-1-naphthyl)methylene]butanohydrazide
CID 135533790
2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135625836
N-(3,4-Dichlorophenyl)-2-(2-(3-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 9672201
2-(2-((2-Hydroxy-1-naphthyl)methylene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 135592770
N-(3,4-Dichlorophenyl)-2-(2-(2-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135613568
2-(2-((2-HO-1-Naphthyl)methylene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135716780
N-(2,3-Dichlorophenyl)-2-(2-(4-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135817001
2-(2-((2-Hydroxy-1-naphthyl)methylene)hydrazino)-2-oxo-N-phenylacetamide
CID 136627435
2-[(3,4-dichlorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135491255

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (CID 135592737) is N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The InChIKey is SMWAWTSLYXZQTM-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3/c20-15-7-6-12(9-16(15)21)23-18(26)19(27)24-22-10-14-13-4-2-1-3-11(13)5-8-17(14)25/h1-10,25H,(H,23,26)(H,24,27)/b22-10+.
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide has a molecular weight of 402.24 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is sourced from PubChem (CID 135592737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).