N,2-dihydroxybenzamide;ethane

C9H13NO3 — CID 91440405

IUPACN,2-dihydroxybenzamide;ethane
SMILESCC.O=C(NO)c1ccccc1O
InChIInChI=1S/C7H7NO3.C2H6/c9-6-4-2-1-3-5(6)7(10)8-11;1-2/h1-4,9,11H,(H,8,10);1-2H3
InChIKeyCAQUKHGQRVKPAD-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.54
Rot. Bonds1

About N,2-dihydroxybenzamide;ethane

N,2-dihydroxybenzamide;ethane (PubChem CID 91440405) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N,2-dihydroxybenzamide;ethane.

Molecular Properties

Compound NameN,2-dihydroxybenzamide;ethane
PubChem CID91440405
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN,2-dihydroxybenzamide;ethane
SMILESCC.O=C(NO)c1ccccc1O
InChIInChI=1S/C7H7NO3.C2H6/c9-6-4-2-1-3-5(6)7(10)8-11;1-2/h1-4,9,11H,(H,8,10);1-2H3
InChIKeyCAQUKHGQRVKPAD-UHFFFAOYSA-N
XLogP1.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
N-tert-butyl-2-hydroxybenzamide
CID 139189948
N-hydroxy-2-propan-2-ylbenzamide
CID 147875920
ethane;2-hydroxy-N-[(2S)-2-[(2-hydroxybenzoyl)amino]-1,2-diphenylethyl]benzamide
CID 90876607
2-[2-(hydroxycarbamoyl)phenyl]-N-(2-hydroxyphenyl)benzamide
CID 87749736
2-hydroxy-N-phenylbenzamide
CID 157209959
N-hydroxy-2-methylsulfonylbenzamide
CID 20613410
2-hydroxy-N'-(2-hydroxybenzoyl)-N'-methylbenzohydrazide
CID 19854250
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
CID 21348404

Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxybenzamide;ethane?
The IUPAC name of N,2-dihydroxybenzamide;ethane (CID 91440405) is N,2-dihydroxybenzamide;ethane.
What is the SMILES notation for N,2-dihydroxybenzamide;ethane?
The canonical SMILES for N,2-dihydroxybenzamide;ethane is CC.O=C(NO)c1ccccc1O.
What is the InChIKey of N,2-dihydroxybenzamide;ethane?
The InChIKey is CAQUKHGQRVKPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.C2H6/c9-6-4-2-1-3-5(6)7(10)8-11;1-2/h1-4,9,11H,(H,8,10);1-2H3.
What are the key properties of N,2-dihydroxybenzamide;ethane?
N,2-dihydroxybenzamide;ethane has a molecular weight of 183.21 g/mol, XLogP of 1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxybenzamide;ethane is sourced from PubChem (CID 91440405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).