N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide

C13H14N2O2 — CID 900681

IUPACN-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide
SMILESCc1ccc(C)n1NC(=O)c1ccccc1O
InChIInChI=1S/C13H14N2O2/c1-9-7-8-10(2)15(9)14-13(17)11-5-3-4-6-12(11)16/h3-8,16H,1-2H3,(H,14,17)
InChIKeyNBVFQUYAOPQBOU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.19
Rot. Bonds2

About N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide

N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide (PubChem CID 900681) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide
PubChem CID900681
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide
SMILESCc1ccc(C)n1NC(=O)c1ccccc1O
InChIInChI=1S/C13H14N2O2/c1-9-7-8-10(2)15(9)14-13(17)11-5-3-4-6-12(11)16/h3-8,16H,1-2H3,(H,14,17)
InChIKeyNBVFQUYAOPQBOU-UHFFFAOYSA-N
XLogP2.19
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide (CID 900681) is N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide is Cc1ccc(C)n1NC(=O)c1ccccc1O.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide?
The InChIKey is NBVFQUYAOPQBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-7-8-10(2)15(9)14-13(17)11-5-3-4-6-12(11)16/h3-8,16H,1-2H3,(H,14,17).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide?
N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide has a molecular weight of 230.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide is sourced from PubChem (CID 900681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).