4-(pyrrol-1-ylmethyl)benzamide

C12H12N2O — CID 63371533

IUPAC4-(pyrrol-1-ylmethyl)benzamide
SMILESNC(=O)c1ccc(Cn2cccc2)cc1
InChIInChI=1S/C12H12N2O/c13-12(15)11-5-3-10(4-6-11)9-14-7-1-2-8-14/h1-8H,9H2,(H2,13,15)
InChIKeyMADDBLCILWAEQG-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.64
Rot. Bonds3

About 4-(pyrrol-1-ylmethyl)benzamide

4-(pyrrol-1-ylmethyl)benzamide (PubChem CID 63371533) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(pyrrol-1-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(pyrrol-1-ylmethyl)benzamide
PubChem CID63371533
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-(pyrrol-1-ylmethyl)benzamide
SMILESNC(=O)c1ccc(Cn2cccc2)cc1
InChIInChI=1S/C12H12N2O/c13-12(15)11-5-3-10(4-6-11)9-14-7-1-2-8-14/h1-8H,9H2,(H2,13,15)
InChIKeyMADDBLCILWAEQG-UHFFFAOYSA-N
XLogP1.64
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrol-1-ylmethyl)benzamide?
The IUPAC name of 4-(pyrrol-1-ylmethyl)benzamide (CID 63371533) is 4-(pyrrol-1-ylmethyl)benzamide.
What is the SMILES notation for 4-(pyrrol-1-ylmethyl)benzamide?
The canonical SMILES for 4-(pyrrol-1-ylmethyl)benzamide is NC(=O)c1ccc(Cn2cccc2)cc1.
What is the InChIKey of 4-(pyrrol-1-ylmethyl)benzamide?
The InChIKey is MADDBLCILWAEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-12(15)11-5-3-10(4-6-11)9-14-7-1-2-8-14/h1-8H,9H2,(H2,13,15).
What are the key properties of 4-(pyrrol-1-ylmethyl)benzamide?
4-(pyrrol-1-ylmethyl)benzamide has a molecular weight of 200.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrol-1-ylmethyl)benzamide is sourced from PubChem (CID 63371533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).