4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide

C12H12N2O3 — CID 142116928

IUPAC4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide
SMILESCOc1ccc(Oc2ccc(C(N)=O)cc2)[nH]1
InChIInChI=1S/C12H12N2O3/c1-16-10-6-7-11(14-10)17-9-4-2-8(3-5-9)12(13)15/h2-7,14H,1H3,(H2,13,15)
InChIKeyAXWDUPNTMSALSD-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.91
Rot. Bonds4

About 4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide

4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide (PubChem CID 142116928) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide.

Molecular Properties

Compound Name4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide
PubChem CID142116928
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide
SMILESCOc1ccc(Oc2ccc(C(N)=O)cc2)[nH]1
InChIInChI=1S/C12H12N2O3/c1-16-10-6-7-11(14-10)17-9-4-2-8(3-5-9)12(13)15/h2-7,14H,1H3,(H2,13,15)
InChIKeyAXWDUPNTMSALSD-UHFFFAOYSA-N
XLogP1.91
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide?
The IUPAC name of 4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide (CID 142116928) is 4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide.
What is the SMILES notation for 4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide?
The canonical SMILES for 4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide is COc1ccc(Oc2ccc(C(N)=O)cc2)[nH]1.
What is the InChIKey of 4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide?
The InChIKey is AXWDUPNTMSALSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-10-6-7-11(14-10)17-9-4-2-8(3-5-9)12(13)15/h2-7,14H,1H3,(H2,13,15).
What are the key properties of 4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide?
4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide has a molecular weight of 232.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide is sourced from PubChem (CID 142116928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).