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

C12H13N5O3 — CID 13026885

IUPAC3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCCc1cc(C(C)=O)c(O)c(C(=O)Nc2nn[nH]n2)c1
InChIInChI=1S/C12H13N5O3/c1-3-7-4-8(6(2)18)10(19)9(5-7)11(20)13-12-14-16-17-15-12/h4-5,19H,3H2,1-2H3,(H2,13,14,15,16,17,20)
InChIKeyULMUZPORMWKCDX-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.92
Rot. Bonds4

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

3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 13026885) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID13026885
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCCc1cc(C(C)=O)c(O)c(C(=O)Nc2nn[nH]n2)c1
InChIInChI=1S/C12H13N5O3/c1-3-7-4-8(6(2)18)10(19)9(5-7)11(20)13-12-14-16-17-15-12/h4-5,19H,3H2,1-2H3,(H2,13,14,15,16,17,20)
InChIKeyULMUZPORMWKCDX-UHFFFAOYSA-N
XLogP0.92
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide (CID 13026885) is 3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide is CCc1cc(C(C)=O)c(O)c(C(=O)Nc2nn[nH]n2)c1.
What is the InChIKey of 3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is ULMUZPORMWKCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-3-7-4-8(6(2)18)10(19)9(5-7)11(20)13-12-14-16-17-15-12/h4-5,19H,3H2,1-2H3,(H2,13,14,15,16,17,20).
What are the key properties of 3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-ethyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 13026885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).