CID 163833460

C8H8BNO2 — CID 163833460

IUPAC—
SMILES[B]c1ccccc1C(O)C(N)=O
InChIInChI=1S/C8H8BNO2/c9-6-4-2-1-3-5(6)7(11)8(10)12/h1-4,7,11H,(H2,10,12)
InChIKeyHTVVLXMLTHVJAS-UHFFFAOYSA-N
MW160.97 g/mol
LogP-1.00
Rot. Bonds2

About CID 163833460

CID 163833460 (PubChem CID 163833460) has the molecular formula C8H8BNO2 and a molecular weight of 160.97 g/mol.

Molecular Properties

Compound NameCID 163833460
PubChem CID163833460
Molecular FormulaC8H8BNO2
Molecular Weight160.97 g/mol
Exact Mass161.06
IUPAC Name—
SMILES[B]c1ccccc1C(O)C(N)=O
InChIInChI=1S/C8H8BNO2/c9-6-4-2-1-3-5(6)7(11)8(10)12/h1-4,7,11H,(H2,10,12)
InChIKeyHTVVLXMLTHVJAS-UHFFFAOYSA-N
XLogP-1.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.97
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-aminophenyl)-2-hydroxyacetamide
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2-(2-formylphenyl)-2-hydroxyacetamide
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(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566
2-hydroxy-2-phenylacetamide;hydrochloride
CID 67718904
2-[2-(3-chlorophenyl)phenyl]-2-hydroxyacetamide
CID 58434122
(E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide
CID 141390620
CID 89164197
CID 89164197
2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide
CID 171869290
(2R)-2-hydroxy-2-naphthalen-2-ylacetamide
CID 11356121
2-fluoro-2-(2-fluorophenyl)acetamide
CID 115013813
(2R)-2-(3-aminophenyl)-2-hydroxyacetamide
CID 129410054
[2-amino-2-oxo-1-(2-propan-2-ylphenyl)ethyl]-dihydroxy-sulfanylphosphanium
CID 57191458

Frequently Asked Questions

What is the IUPAC name of CID 163833460?
The IUPAC name of CID 163833460 (CID 163833460) is not available.
What is the SMILES notation for CID 163833460?
The canonical SMILES for CID 163833460 is [B]c1ccccc1C(O)C(N)=O.
What is the InChIKey of CID 163833460?
The InChIKey is HTVVLXMLTHVJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BNO2/c9-6-4-2-1-3-5(6)7(11)8(10)12/h1-4,7,11H,(H2,10,12).
What are the key properties of CID 163833460?
CID 163833460 has a molecular weight of 160.97 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163833460 is sourced from PubChem (CID 163833460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).