N-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide

C13H14N2O2 — CID 895406

IUPACN-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H14N2O2/c1-9-3-4-10(2)15(9)14-13(17)11-5-7-12(16)8-6-11/h3-8,16H,1-2H3,(H,14,17)
InChIKeyITIABCNIUVFWHH-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.19
Rot. Bonds2

About N-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide

N-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide (PubChem CID 895406) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide
PubChem CID895406
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H14N2O2/c1-9-3-4-10(2)15(9)14-13(17)11-5-7-12(16)8-6-11/h3-8,16H,1-2H3,(H,14,17)
InChIKeyITIABCNIUVFWHH-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)-4-hydroxybenzamide?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide (CID 895406) is N-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide is Cc1ccc(C)n1NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide?
The InChIKey is ITIABCNIUVFWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-3-4-10(2)15(9)14-13(17)11-5-7-12(16)8-6-11/h3-8,16H,1-2H3,(H,14,17).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-4-hydroxybenzamide?
N-(2,5-dimethylpyrrol-1-yl)-4-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)-4-hydroxybenzamide is sourced from PubChem (CID 895406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).