3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide

C10H9N5O3 — CID 13026889

IUPAC3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(=O)c1cccc(C(=O)Nc2nn[nH]n2)c1O
InChIInChI=1S/C10H9N5O3/c1-5(16)6-3-2-4-7(8(6)17)9(18)11-10-12-14-15-13-10/h2-4,17H,1H3,(H2,11,12,13,14,15,18)
InChIKeyXYWIEHIQBIUPLU-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.36
Rot. Bonds3

About 3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide

3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 13026889) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID13026889
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(=O)c1cccc(C(=O)Nc2nn[nH]n2)c1O
InChIInChI=1S/C10H9N5O3/c1-5(16)6-3-2-4-7(8(6)17)9(18)11-10-12-14-15-13-10/h2-4,17H,1H3,(H2,11,12,13,14,15,18)
InChIKeyXYWIEHIQBIUPLU-UHFFFAOYSA-N
XLogP0.36
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 811323
3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962762
5-fluoro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962771
2-hydroxy-5-methylsulfanyl-N-(2H-tetrazol-5-yl)benzamide
CID 12962773
2-hydroxy-5-phenyl-N-(2H-tetrazol-5-yl)benzamide
CID 12962776
5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962777
5-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962778
5-chloro-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 12962781
2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide
CID 12962784
3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide
CID 13026871
3-acetyl-2-hydroxy-5-sulfamoyl-N-(2H-tetrazol-5-yl)benzamide
CID 13026883
5-trifluoromethyl-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 13026884

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide (CID 13026889) is 3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide is CC(=O)c1cccc(C(=O)Nc2nn[nH]n2)c1O.
What is the InChIKey of 3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is XYWIEHIQBIUPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c1-5(16)6-3-2-4-7(8(6)17)9(18)11-10-12-14-15-13-10/h2-4,17H,1H3,(H2,11,12,13,14,15,18).
What are the key properties of 3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 247.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 13026889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).