(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide

C12H16BrN3O2 — CID 82767181

IUPAC(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCc1ccc(Br)c(NC(=O)C(C)(C)/C(N)=N/O)c1
InChIInChI=1S/C12H16BrN3O2/c1-7-4-5-8(13)9(6-7)15-11(17)12(2,3)10(14)16-18/h4-6,18H,1-3H3,(H2,14,16)(H,15,17)
InChIKeyWCWQAJILPHMWEL-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.47
Rot. Bonds3

About (3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide

(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 82767181) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is (3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID82767181
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCc1ccc(Br)c(NC(=O)C(C)(C)/C(N)=N/O)c1
InChIInChI=1S/C12H16BrN3O2/c1-7-4-5-8(13)9(6-7)15-11(17)12(2,3)10(14)16-18/h4-6,18H,1-3H3,(H2,14,16)(H,15,17)
InChIKeyWCWQAJILPHMWEL-UHFFFAOYSA-N
XLogP2.47
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.47
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-(2,4-dimethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919314
(3Z)-3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 104724954
N-(2-bromo-5-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 103430310
(2-bromo-5-methylphenyl)urea
CID 82707313
N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
CID 82706728
N-(2,5-dibromophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
CID 114292758
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide
CID 82757220
3-amino-N-(5-chloro-2-fluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919373
(3Z)-3-amino-N-(2-chloro-3-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 114251779
(2-bromo-5-methylphenyl)thiourea
CID 82757187
(3Z)-3-amino-N-(3-bromoquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 116785323

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of (3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide (CID 82767181) is (3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for (3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide is Cc1ccc(Br)c(NC(=O)C(C)(C)/C(N)=N/O)c1.
What is the InChIKey of (3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is WCWQAJILPHMWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-7-4-5-8(13)9(6-7)15-11(17)12(2,3)10(14)16-18/h4-6,18H,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of (3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 314.18 g/mol, XLogP of 2.47, 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-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 82767181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).