2-(3-benzyl-1H-pyrrol-2-yl)acetamide

C13H14N2O — CID 154189130

IUPAC2-(3-benzyl-1H-pyrrol-2-yl)acetamide
SMILESNC(=O)Cc1[nH]ccc1Cc1ccccc1
InChIInChI=1S/C13H14N2O/c14-13(16)9-12-11(6-7-15-12)8-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H2,14,16)
InChIKeyLAPSUMZOTRXQQO-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.63
Rot. Bonds4

About 2-(3-benzyl-1H-pyrrol-2-yl)acetamide

2-(3-benzyl-1H-pyrrol-2-yl)acetamide (PubChem CID 154189130) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(3-benzyl-1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-1H-pyrrol-2-yl)acetamide
PubChem CID154189130
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(3-benzyl-1H-pyrrol-2-yl)acetamide
SMILESNC(=O)Cc1[nH]ccc1Cc1ccccc1
InChIInChI=1S/C13H14N2O/c14-13(16)9-12-11(6-7-15-12)8-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H2,14,16)
InChIKeyLAPSUMZOTRXQQO-UHFFFAOYSA-N
XLogP1.63
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(3-benzyl-1H-pyrrol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dibenzyl-2-hydroxyphenyl)acetamide
CID 163237018
(3-benzyl-1H-pyrrol-2-yl)methyl 2,2-dimethyl-3-phenylsulfanylcyclopropane-1-carboxylate
CID 23335120
3-benzyl-2-methyl-1H-pyrrole;ethene
CID 174949723
3,4-dibenzyl-1H-pyrrole
CID 4984366
3-benzyl-2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methyl]-1H-pyrrole
CID 152694516
3-benzyl-2-(2-oxo-1H-pyridin-4-yl)benzamide
CID 166652836
5-benzyl-1H-imidazole-4-carboxamide
CID 102170188
2-(2-phenylethyl)-1H-pyrrole-3-carboxylic acid
CID 84756212
2-phenylacetamide;pyridine
CID 22283001
[3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol
CID 54523279
3,4-dibenzyl-2-fluorobenzamide
CID 69484098
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-1H-pyrrol-2-yl)acetamide?
The IUPAC name of 2-(3-benzyl-1H-pyrrol-2-yl)acetamide (CID 154189130) is 2-(3-benzyl-1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for 2-(3-benzyl-1H-pyrrol-2-yl)acetamide?
The canonical SMILES for 2-(3-benzyl-1H-pyrrol-2-yl)acetamide is NC(=O)Cc1[nH]ccc1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyl-1H-pyrrol-2-yl)acetamide?
The InChIKey is LAPSUMZOTRXQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-13(16)9-12-11(6-7-15-12)8-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H2,14,16).
What are the key properties of 2-(3-benzyl-1H-pyrrol-2-yl)acetamide?
2-(3-benzyl-1H-pyrrol-2-yl)acetamide has a molecular weight of 214.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 154189130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).