(2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide

C8H7Cl2N3O2 — CID 53274928

IUPAC(2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide
SMILESN/C(=N/O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H7Cl2N3O2/c9-4-1-2-5(10)6(3-4)12-8(14)7(11)13-15/h1-3,15H,(H2,11,13)(H,12,14)
InChIKeyVXHHNUOKOOIIRW-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.68
Rot. Bonds1

About (2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide

(2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide (PubChem CID 53274928) has the molecular formula C8H7Cl2N3O2 and a molecular weight of 248.07 g/mol. Its IUPAC name is (2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide
PubChem CID53274928
Molecular FormulaC8H7Cl2N3O2
Molecular Weight248.07 g/mol
Exact Mass246.99
IUPAC Name(2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide
SMILESN/C(=N/O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H7Cl2N3O2/c9-4-1-2-5(10)6(3-4)12-8(14)7(11)13-15/h1-3,15H,(H2,11,13)(H,12,14)
InChIKeyVXHHNUOKOOIIRW-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

1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
methyl 2-(2,5-dichloroanilino)-2-oxoacetate
CID 11543309
N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide
CID 43316125
(2Z)-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide
CID 6409669
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
N-(2,5-dichlorophenyl)-N',N'-diethyloxamide
CID 39370052
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
CID 29037968
N-(3-acetamidophenyl)-N'-(2,5-dichlorophenyl)oxamide
CID 108501018
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
N-(2,5-dichlorophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108500926
1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108886172

Frequently Asked Questions

What is the IUPAC name of (2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide (CID 53274928) is (2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide is N/C(=N/O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide?
The InChIKey is VXHHNUOKOOIIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O2/c9-4-1-2-5(10)6(3-4)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-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide?
(2E)-2-amino-N-(2,5-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-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 53274928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).