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

C22H17Cl2N3O3 — CID 6872462

IUPACN-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H17Cl2N3O3/c23-18-11-10-17(12-19(18)24)26-21(28)22(29)27-25-13-16-8-4-5-9-20(16)30-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,26,28)(H,27,29)/b25-13+
InChIKeyNFXPFOOGEVGHDO-DHRITJCHSA-N
MW442.30 g/mol
LogP4.66
Rot. Bonds6

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

N-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 6872462) has the molecular formula C22H17Cl2N3O3 and a molecular weight of 442.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID6872462
Molecular FormulaC22H17Cl2N3O3
Molecular Weight442.30 g/mol
Exact Mass441.06
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H17Cl2N3O3/c23-18-11-10-17(12-19(18)24)26-21(28)22(29)27-25-13-16-8-4-5-9-20(16)30-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,26,28)(H,27,29)/b25-13+
InChIKeyNFXPFOOGEVGHDO-DHRITJCHSA-N
XLogP4.66
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-Dichloro-phenyl)-2-(4-ethoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 9564200
2-anilino-N'-{3-chloro-4-[(4-fluorobenzyl)oxy]benzylidene}acetohydrazide
CID 6872742
N-(3,4-dichlorophenyl)-3-[2-(2-methoxybenzylidene)hydrazino]-3-oxopropanamide
CID 6876972
2-(2-(4-Chlorobenzylidene)hydrazino)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 6896356
N'-(4-Chlorobenzylidene)-2-(4-ethoxyanilino)acetohydrazide
CID 9557254
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-(3,4-dichloro-N-methylsulfonylanilino)-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 6873315
2-(2-(4-((4-CL-Benzyl)oxy)benzylidene)hydrazino)-N-(4-ethoxy-PH)-2-oxoacetamide
CID 9590878
2-(2-(4-(Benzyloxy)benzylidene)hydrazino)-N-(4-ethylphenyl)-2-oxoacetamide
CID 9598687
2-(2-(2-Ethoxybenzylidene)hydrazino)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 9607860
2-(2-(2-(Allyloxy)-5-bromobenzylidene)hydrazino)-N-(3,4-DI-CL-PH)-2-oxoacetamide
CID 9608104

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide (CID 6872462) is N-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide is O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is NFXPFOOGEVGHDO-DHRITJCHSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3/c23-18-11-10-17(12-19(18)24)26-21(28)22(29)27-25-13-16-8-4-5-9-20(16)30-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,26,28)(H,27,29)/b25-13+.
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide?
N-(3,4-dichlorophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 442.30 g/mol, XLogP of 4.66, 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-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6872462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).