N-(1-phenylethyl)-1H-pyrrole-2-carboxamide

C13H14N2O — CID 3343155

IUPACN-(1-phenylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C13H14N2O/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12/h2-10,14H,1H3,(H,15,16)
InChIKeyZCDCLWRYDWKALM-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.51
Rot. Bonds3

About N-(1-phenylethyl)-1H-pyrrole-2-carboxamide

N-(1-phenylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 3343155) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(1-phenylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1H-pyrrole-2-carboxamide
PubChem CID3343155
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-(1-phenylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C13H14N2O/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12/h2-10,14H,1H3,(H,15,16)
InChIKeyZCDCLWRYDWKALM-UHFFFAOYSA-N
XLogP2.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-Propionylpyrrole
CID 61260
Phenyl(1H-pyrrol-2-YL)methanone
CID 24370
Bupicomide
CID 31447
Lsn2463359
CID 72551298
Kdoam-25
CID 91810435
1H-pyrrole-2-carboxamide
CID 573553
N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
1-[(2-Chlorophenyl)methyl]pyrrole-2-carboxamide
CID 3239748
Aldisine
CID 3085877
Phenatine
CID 120640
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1H-pyrrole-2-carboxamide (CID 3343155) is N-(1-phenylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1H-pyrrole-2-carboxamide is CC(NC(=O)c1ccc[nH]1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZCDCLWRYDWKALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12/h2-10,14H,1H3,(H,15,16).
What are the key properties of N-(1-phenylethyl)-1H-pyrrole-2-carboxamide?
N-(1-phenylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3343155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).