(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide

C8H7Cl2N3O2 — CID 53274929

IUPAC(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide
SMILESN/C(=N/O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2N3O2/c9-5-2-1-4(3-6(5)10)12-8(14)7(11)13-15/h1-3,15H,(H2,11,13)(H,12,14)
InChIKeyWEHANJUKFPDDLA-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.68
Rot. Bonds1

About (2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide

(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide (PubChem CID 53274929) has the molecular formula C8H7Cl2N3O2 and a molecular weight of 248.07 g/mol. Its IUPAC name is (2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide
PubChem CID53274929
Molecular FormulaC8H7Cl2N3O2
Molecular Weight248.07 g/mol
Exact Mass246.99
IUPAC Name(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide
SMILESN/C(=N/O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2N3O2/c9-5-2-1-4(3-6(5)10)12-8(14)7(11)13-15/h1-3,15H,(H2,11,13)(H,12,14)
InChIKeyWEHANJUKFPDDLA-UHFFFAOYSA-N
XLogP1.68
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-chlorophenyl)-2-hydroxyiminoacetamide
CID 6846906
(2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide
CID 53274928
3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920661
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
1-[(3E)-3-amino-3-hydroxyiminopropyl]-3-(3,4-dichlorophenyl)urea
CID 55102675
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
1-carbamothioyl-3-(3,4-dichlorophenyl)urea
CID 134095672
1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea
CID 76929020
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
(2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide
CID 45480706
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894
1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea
CID 125466393

Frequently Asked Questions

What is the IUPAC name of (2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide (CID 53274929) is (2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide is N/C(=N/O)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide?
The InChIKey is WEHANJUKFPDDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O2/c9-5-2-1-4(3-6(5)10)12-8(14)7(11)13-15/h1-3,15H,(H2,11,13)(H,12,14).
What are the key properties of (2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide?
(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide has a molecular weight of 248.07 g/mol, XLogP of 1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 53274929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).