4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide

C14H14N2O2 — CID 1489239

IUPAC4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C14H14N2O2/c1-10(17)12-7-13(15-9-12)14(18)16-8-11-5-3-2-4-6-11/h2-7,9,15H,8H2,1H3,(H,16,18)
InChIKeyDGJFLTUILJSAGX-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.15
Rot. Bonds4

About 4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide

4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide (PubChem CID 1489239) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
PubChem CID1489239
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C14H14N2O2/c1-10(17)12-7-13(15-9-12)14(18)16-8-11-5-3-2-4-6-11/h2-7,9,15H,8H2,1H3,(H,16,18)
InChIKeyDGJFLTUILJSAGX-UHFFFAOYSA-N
XLogP2.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl(1H-pyrrol-2-YL)methanone
CID 24370
6-(Phenylamino)-5,8-quinolinedione
CID 3976
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
Indole-4,7-dione
CID 152300
N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447
Aldisine
CID 3085877
N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2068180
Safironil
CID 65973
Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
CID 211019
2-(1H-Indol-3-yl)-N,N-dimethyl-2-oxo-acetamide
CID 34471
N-Ethyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 41500

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide (CID 1489239) is 4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide?
The InChIKey is DGJFLTUILJSAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10(17)12-7-13(15-9-12)14(18)16-8-11-5-3-2-4-6-11/h2-7,9,15H,8H2,1H3,(H,16,18).
What are the key properties of 4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1489239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).