2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide

C9H11N3O2 — CID 164703528

IUPAC2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
SMILESNC(=O)c1ccccc1C/C(N)=N/O
InChIInChI=1S/C9H11N3O2/c10-8(12-14)5-6-3-1-2-4-7(6)9(11)13/h1-4,14H,5H2,(H2,10,12)(H2,11,13)
InChIKeyGSBYSFUZEPRIDY-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.07
Rot. Bonds3

About 2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide

2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide (PubChem CID 164703528) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide.

Molecular Properties

Compound Name2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
PubChem CID164703528
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
SMILESNC(=O)c1ccccc1C/C(N)=N/O
InChIInChI=1S/C9H11N3O2/c10-8(12-14)5-6-3-1-2-4-7(6)9(11)13/h1-4,14H,5H2,(H2,10,12)(H2,11,13)
InChIKeyGSBYSFUZEPRIDY-UHFFFAOYSA-N
XLogP0.07
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.07
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

N'-hydroxy-2-(2-methylphenyl)ethanimidamide
CID 6001694
2-(2-anilino-2-oxoethyl)benzamide
CID 173153266
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
N'-hydroxy-2-phenylethanimidamide
CID 6074309
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide
CID 141152693
2-(3-chloropropyl)benzamide
CID 135741565
2-butylbenzamide
CID 15468173
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
2-[(2R)-2-amino-3-hydroxypropyl]benzamide
CID 66587137
N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide
CID 83878809
2-[2-(methylamino)ethyl]benzamide
CID 69094527

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide?
The IUPAC name of 2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide (CID 164703528) is 2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide.
What is the SMILES notation for 2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide?
The canonical SMILES for 2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide is NC(=O)c1ccccc1C/C(N)=N/O.
What is the InChIKey of 2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide?
The InChIKey is GSBYSFUZEPRIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-8(12-14)5-6-3-1-2-4-7(6)9(11)13/h1-4,14H,5H2,(H2,10,12)(H2,11,13).
What are the key properties of 2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide?
2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide has a molecular weight of 193.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide is sourced from PubChem (CID 164703528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).