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

C13H15N5O3 — CID 13026891

IUPAC3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide
SMILESCCCc1cc(C(C)=O)c(O)c(C(=O)Nc2nn[nH]n2)c1
InChIInChI=1S/C13H15N5O3/c1-3-4-8-5-9(7(2)19)11(20)10(6-8)12(21)14-13-15-17-18-16-13/h5-6,20H,3-4H2,1-2H3,(H2,14,15,16,17,18,21)
InChIKeyKOINNFFOVRUWNS-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.31
Rot. Bonds5

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

3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 13026891) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide
PubChem CID13026891
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide
SMILESCCCc1cc(C(C)=O)c(O)c(C(=O)Nc2nn[nH]n2)c1
InChIInChI=1S/C13H15N5O3/c1-3-4-8-5-9(7(2)19)11(20)10(6-8)12(21)14-13-15-17-18-16-13/h5-6,20H,3-4H2,1-2H3,(H2,14,15,16,17,18,21)
InChIKeyKOINNFFOVRUWNS-UHFFFAOYSA-N
XLogP1.31
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide (CID 13026891) is 3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide is CCCc1cc(C(C)=O)c(O)c(C(=O)Nc2nn[nH]n2)c1.
What is the InChIKey of 3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is KOINNFFOVRUWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-3-4-8-5-9(7(2)19)11(20)10(6-8)12(21)14-13-15-17-18-16-13/h5-6,20H,3-4H2,1-2H3,(H2,14,15,16,17,18,21).
What are the key properties of 3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide?
3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 289.30 g/mol, XLogP of 1.31, 5 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-propyl-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 13026891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).