2-(2,5-dimethylpyrrol-1-yl)benzamide

C13H14N2O — CID 118443935

IUPAC2-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCc1ccc(C)n1-c1ccccc1C(N)=O
InChIInChI=1S/C13H14N2O/c1-9-7-8-10(2)15(9)12-6-4-3-5-11(12)13(14)16/h3-8H,1-2H3,(H2,14,16)
InChIKeyUGOFSDYGKAKAMA-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.19
Rot. Bonds2

About 2-(2,5-dimethylpyrrol-1-yl)benzamide

2-(2,5-dimethylpyrrol-1-yl)benzamide (PubChem CID 118443935) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)benzamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)benzamide
PubChem CID118443935
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCc1ccc(C)n1-c1ccccc1C(N)=O
InChIInChI=1S/C13H14N2O/c1-9-7-8-10(2)15(9)12-6-4-3-5-11(12)13(14)16/h3-8H,1-2H3,(H2,14,16)
InChIKeyUGOFSDYGKAKAMA-UHFFFAOYSA-N
XLogP2.19
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)benzamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)benzamide (CID 118443935) is 2-(2,5-dimethylpyrrol-1-yl)benzamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)benzamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)benzamide is Cc1ccc(C)n1-c1ccccc1C(N)=O.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)benzamide?
The InChIKey is UGOFSDYGKAKAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-7-8-10(2)15(9)12-6-4-3-5-11(12)13(14)16/h3-8H,1-2H3,(H2,14,16).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)benzamide?
2-(2,5-dimethylpyrrol-1-yl)benzamide has a molecular weight of 214.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)benzamide is sourced from PubChem (CID 118443935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).