(3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide

C9H8BrCl2N3O2 — CID 43155915

IUPAC(3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)Nc1c(Cl)cc(Br)cc1Cl)=N\O
InChIInChI=1S/C9H8BrCl2N3O2/c10-4-1-5(11)9(6(12)2-4)14-8(16)3-7(13)15-17/h1-2,17H,3H2,(H2,13,15)(H,14,16)
InChIKeyLYKMFPKYVZEFTA-UHFFFAOYSA-N
MW340.99 g/mol
LogP2.83
Rot. Bonds3

About (3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide (PubChem CID 43155915) has the molecular formula C9H8BrCl2N3O2 and a molecular weight of 340.99 g/mol. Its IUPAC name is (3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide
PubChem CID43155915
Molecular FormulaC9H8BrCl2N3O2
Molecular Weight340.99 g/mol
Exact Mass338.92
IUPAC Name(3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)Nc1c(Cl)cc(Br)cc1Cl)=N\O
InChIInChI=1S/C9H8BrCl2N3O2/c10-4-1-5(11)9(6(12)2-4)14-8(16)3-7(13)15-17/h1-2,17H,3H2,(H2,13,15)(H,14,16)
InChIKeyLYKMFPKYVZEFTA-UHFFFAOYSA-N
XLogP2.83
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.99
LogP ≤ 52.83
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

3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-sulfanylidenepropanamide
CID 28993502
(3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide
CID 107602387
(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 43156022
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
(3Z)-3-amino-N-(2,5-dichloro-4-methylphenyl)-3-hydroxyiminopropanamide
CID 104727903
3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 115564784
ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate
CID 60893377
(3E)-3-amino-N-(2-chloro-5-fluorophenyl)-3-hydroxyiminopropanamide
CID 107530741
N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
CID 68711978
N-(4-bromo-2,6-dichlorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740731
4-(4-bromo-2,6-dichloroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302251

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide (CID 43155915) is (3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide is N/C(CC(=O)Nc1c(Cl)cc(Br)cc1Cl)=N\O.
What is the InChIKey of (3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide?
The InChIKey is LYKMFPKYVZEFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2N3O2/c10-4-1-5(11)9(6(12)2-4)14-8(16)3-7(13)15-17/h1-2,17H,3H2,(H2,13,15)(H,14,16).
What are the key properties of (3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide has a molecular weight of 340.99 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 43155915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).