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

C12H13N5O3 — CID 13026893

IUPAC2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide
SMILESCCC(=O)c1cc(C)cc(C(=O)Nc2nn[nH]n2)c1O
InChIInChI=1S/C12H13N5O3/c1-3-9(18)7-4-6(2)5-8(10(7)19)11(20)13-12-14-16-17-15-12/h4-5,19H,3H2,1-2H3,(H2,13,14,15,16,17,20)
InChIKeyVPPCGVSYQUSLOH-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.06
Rot. Bonds4

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

2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 13026893) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide
PubChem CID13026893
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide
SMILESCCC(=O)c1cc(C)cc(C(=O)Nc2nn[nH]n2)c1O
InChIInChI=1S/C12H13N5O3/c1-3-9(18)7-4-6(2)5-8(10(7)19)11(20)13-12-14-16-17-15-12/h4-5,19H,3H2,1-2H3,(H2,13,14,15,16,17,20)
InChIKeyVPPCGVSYQUSLOH-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide (CID 13026893) is 2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide is CCC(=O)c1cc(C)cc(C(=O)Nc2nn[nH]n2)c1O.
What is the InChIKey of 2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is VPPCGVSYQUSLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-3-9(18)7-4-6(2)5-8(10(7)19)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 2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide?
2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 13026893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).