2-oxaldehydoylbenzamide

C9H7NO3 — CID 146295366

IUPAC2-oxaldehydoylbenzamide
SMILESNC(=O)c1ccccc1C(=O)C=O
InChIInChI=1S/C9H7NO3/c10-9(13)7-4-2-1-3-6(7)8(12)5-11/h1-5H,(H2,10,13)
InChIKeyOAANRSHMIYQWFT-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.17
Rot. Bonds3

About 2-oxaldehydoylbenzamide

2-oxaldehydoylbenzamide (PubChem CID 146295366) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-oxaldehydoylbenzamide.

Molecular Properties

Compound Name2-oxaldehydoylbenzamide
PubChem CID146295366
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name2-oxaldehydoylbenzamide
SMILESNC(=O)c1ccccc1C(=O)C=O
InChIInChI=1S/C9H7NO3/c10-9(13)7-4-2-1-3-6(7)8(12)5-11/h1-5H,(H2,10,13)
InChIKeyOAANRSHMIYQWFT-UHFFFAOYSA-N
XLogP0.17
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-carbamoylbenzoate
CID 3373391
2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde
CID 88759988
benzene-1,2-dicarboxamide;piperazine
CID 159137360
calcium bis(2-carbamoylbenzoate)
CID 158845226
2-fluorobenzamide;dihydrochloride
CID 22563899
N-formyl-N-[2-(2-oxaldehydoylphenyl)-2-oxoethyl]formamide
CID 91482793
benzene;2-hydroxybenzamide
CID 157085280
2-iodobenzamide
CID 160670857
bis(2-aminobenzamide);platinum(2+)
CID 50912239
benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide
CID 157113286

Frequently Asked Questions

What is the IUPAC name of 2-oxaldehydoylbenzamide?
The IUPAC name of 2-oxaldehydoylbenzamide (CID 146295366) is 2-oxaldehydoylbenzamide.
What is the SMILES notation for 2-oxaldehydoylbenzamide?
The canonical SMILES for 2-oxaldehydoylbenzamide is NC(=O)c1ccccc1C(=O)C=O.
What is the InChIKey of 2-oxaldehydoylbenzamide?
The InChIKey is OAANRSHMIYQWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c10-9(13)7-4-2-1-3-6(7)8(12)5-11/h1-5H,(H2,10,13).
What are the key properties of 2-oxaldehydoylbenzamide?
2-oxaldehydoylbenzamide has a molecular weight of 177.16 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaldehydoylbenzamide is sourced from PubChem (CID 146295366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).