N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide

C10H10Cl2N4O3 — CID 3799613

IUPACN'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide
SMILESNC(=O)C(=O)NN=C(N)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2N4O3/c11-5-1-2-7(6(12)3-5)19-4-8(13)15-16-10(18)9(14)17/h1-3H,4H2,(H2,13,15)(H2,14,17)(H,16,18)
InChIKeyAGEBHQBZILLVMB-UHFFFAOYSA-N
MW305.12 g/mol
LogP0.25
Rot. Bonds4

About N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide

N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide (PubChem CID 3799613) has the molecular formula C10H10Cl2N4O3 and a molecular weight of 305.12 g/mol. Its IUPAC name is N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide.

Molecular Properties

Compound NameN'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide
PubChem CID3799613
Molecular FormulaC10H10Cl2N4O3
Molecular Weight305.12 g/mol
Exact Mass304.01
IUPAC NameN'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide
SMILESNC(=O)C(=O)NN=C(N)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2N4O3/c11-5-1-2-7(6(12)3-5)19-4-8(13)15-16-10(18)9(14)17/h1-3H,4H2,(H2,13,15)(H2,14,17)(H,16,18)
InChIKeyAGEBHQBZILLVMB-UHFFFAOYSA-N
XLogP0.25
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 50.25
H-Bond Donors ≤ 53
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
N-[1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 3486285
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7957341
N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide
CID 4749356
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
CID 82090673
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
CID 4181307
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836

Frequently Asked Questions

What is the IUPAC name of N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide?
The IUPAC name of N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide (CID 3799613) is N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide.
What is the SMILES notation for N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide?
The canonical SMILES for N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide is NC(=O)C(=O)NN=C(N)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide?
The InChIKey is AGEBHQBZILLVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O3/c11-5-1-2-7(6(12)3-5)19-4-8(13)15-16-10(18)9(14)17/h1-3H,4H2,(H2,13,15)(H2,14,17)(H,16,18).
What are the key properties of N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide?
N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide has a molecular weight of 305.12 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]oxamide is sourced from PubChem (CID 3799613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).