N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide

C9H10BrN3O3 — CID 76922753

IUPACN-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide
SMILESNC(CNC(=O)c1ccc(Br)cc1O)=NO
InChIInChI=1S/C9H10BrN3O3/c10-5-1-2-6(7(14)3-5)9(15)12-4-8(11)13-16/h1-3,14,16H,4H2,(H2,11,13)(H,12,15)
InChIKeyACMIUZCVLCHAPJ-UHFFFAOYSA-N
MW288.10 g/mol
LogP0.63
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide

N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide (PubChem CID 76922753) has the molecular formula C9H10BrN3O3 and a molecular weight of 288.10 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide
PubChem CID76922753
Molecular FormulaC9H10BrN3O3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide
SMILESNC(CNC(=O)c1ccc(Br)cc1O)=NO
InChIInChI=1S/C9H10BrN3O3/c10-5-1-2-6(7(14)3-5)9(15)12-4-8(11)13-16/h1-3,14,16H,4H2,(H2,11,13)(H,12,15)
InChIKeyACMIUZCVLCHAPJ-UHFFFAOYSA-N
XLogP0.63
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide
CID 107965114
N-(3-amino-3-hydroxyiminopropyl)-4-bromo-N-ethyl-2-hydroxybenzamide
CID 76922764
N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide
CID 107725672
4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110103
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide
CID 77038937
4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide
CID 55210646
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
(2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833831
4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76922754
N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide
CID 77036728

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide (CID 76922753) is N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide is NC(CNC(=O)c1ccc(Br)cc1O)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide?
The InChIKey is ACMIUZCVLCHAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3/c10-5-1-2-6(7(14)3-5)9(15)12-4-8(11)13-16/h1-3,14,16H,4H2,(H2,11,13)(H,12,15).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide?
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide has a molecular weight of 288.10 g/mol, XLogP of 0.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide is sourced from PubChem (CID 76922753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).