(3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide

C9H9Br2N3O2 — CID 107602387

IUPAC(3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)Nc1c(Br)cccc1Br)=N/O
InChIInChI=1S/C9H9Br2N3O2/c10-5-2-1-3-6(11)9(5)13-8(15)4-7(12)14-16/h1-3,16H,4H2,(H2,12,14)(H,13,15)
InChIKeyBNIDFLAFAANLCK-UHFFFAOYSA-N
MW351.00 g/mol
LogP2.29
Rot. Bonds3

About (3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide

(3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide (PubChem CID 107602387) has the molecular formula C9H9Br2N3O2 and a molecular weight of 351.00 g/mol. Its IUPAC name is (3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide
PubChem CID107602387
Molecular FormulaC9H9Br2N3O2
Molecular Weight351.00 g/mol
Exact Mass348.91
IUPAC Name(3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)Nc1c(Br)cccc1Br)=N/O
InChIInChI=1S/C9H9Br2N3O2/c10-5-2-1-3-6(11)9(5)13-8(15)4-7(12)14-16/h1-3,16H,4H2,(H2,12,14)(H,13,15)
InChIKeyBNIDFLAFAANLCK-UHFFFAOYSA-N
XLogP2.29
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.00
LogP ≤ 52.29
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

(3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide
CID 43155915
N-(2,6-dibromophenyl)propanamide
CID 103863189
3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 115564784
N-(2,6-dibromophenyl)-3-sulfanylpropanamide
CID 107604205
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621
2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide
CID 107599693
3-amino-N-(2-fluorophenyl)-3-hydroxyiminopropanamide
CID 53397139
(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 43156022
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide
CID 107599767
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474

Frequently Asked Questions

What is the IUPAC name of (3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide (CID 107602387) is (3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide is N/C(CC(=O)Nc1c(Br)cccc1Br)=N/O.
What is the InChIKey of (3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide?
The InChIKey is BNIDFLAFAANLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N3O2/c10-5-2-1-3-6(11)9(5)13-8(15)4-7(12)14-16/h1-3,16H,4H2,(H2,12,14)(H,13,15).
What are the key properties of (3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide?
(3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide has a molecular weight of 351.00 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 107602387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).