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

C11H11N5O3 — CID 13026871

IUPAC3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(=O)c1cc(C)cc(C(=O)Nc2nn[nH]n2)c1O
InChIInChI=1S/C11H11N5O3/c1-5-3-7(6(2)17)9(18)8(4-5)10(19)12-11-13-15-16-14-11/h3-4,18H,1-2H3,(H2,12,13,14,15,16,19)
InChIKeyMQJGCNRFNGZKTO-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.67
Rot. Bonds3

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

3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 13026871) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide
PubChem CID13026871
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(=O)c1cc(C)cc(C(=O)Nc2nn[nH]n2)c1O
InChIInChI=1S/C11H11N5O3/c1-5-3-7(6(2)17)9(18)8(4-5)10(19)12-11-13-15-16-14-11/h3-4,18H,1-2H3,(H2,12,13,14,15,16,19)
InChIKeyMQJGCNRFNGZKTO-UHFFFAOYSA-N
XLogP0.67
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide (CID 13026871) is 3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide is CC(=O)c1cc(C)cc(C(=O)Nc2nn[nH]n2)c1O.
What is the InChIKey of 3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is MQJGCNRFNGZKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-5-3-7(6(2)17)9(18)8(4-5)10(19)12-11-13-15-16-14-11/h3-4,18H,1-2H3,(H2,12,13,14,15,16,19).
What are the key properties of 3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide?
3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 261.24 g/mol, XLogP of 0.67, 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-5-methyl-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 13026871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).