(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide

C10H11BrClN3O2 — CID 81274652

IUPAC(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1Br)/C(N)=N/O
InChIInChI=1S/C10H11BrClN3O2/c1-5(9(13)15-17)10(16)14-8-4-6(12)2-3-7(8)11/h2-5,17H,1H3,(H2,13,15)(H,14,16)
InChIKeyXKTNITKTTBJLFR-UHFFFAOYSA-N
MW320.57 g/mol
LogP2.42
Rot. Bonds3

About (3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide

(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 81274652) has the molecular formula C10H11BrClN3O2 and a molecular weight of 320.57 g/mol. Its IUPAC name is (3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID81274652
Molecular FormulaC10H11BrClN3O2
Molecular Weight320.57 g/mol
Exact Mass318.97
IUPAC Name(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1Br)/C(N)=N/O
InChIInChI=1S/C10H11BrClN3O2/c1-5(9(13)15-17)10(16)14-8-4-6(12)2-3-7(8)11/h2-5,17H,1H3,(H2,13,15)(H,14,16)
InChIKeyXKTNITKTTBJLFR-UHFFFAOYSA-N
XLogP2.42
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 52.42
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-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
CID 81271294
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926908
3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926221
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide
CID 107615200
2-(2-bromo-5-chloroanilino)propanamide
CID 81281042
3-amino-N-(2-bromo-5-chlorophenyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 81270751
N-(2-bromo-5-methoxyphenyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77069948
3-(2-bromo-5-chloroanilino)-2-methylpropanamide
CID 81280704

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of (3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide (CID 81274652) is (3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for (3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide is CC(C(=O)Nc1cc(Cl)ccc1Br)/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is XKTNITKTTBJLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O2/c1-5(9(13)15-17)10(16)14-8-4-6(12)2-3-7(8)11/h2-5,17H,1H3,(H2,13,15)(H,14,16).
What are the key properties of (3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide?
(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 320.57 g/mol, XLogP of 2.42, 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-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 81274652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).