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

C13H14N2O2 — CID 63184689

IUPACN-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C13H14N2O2/c16-9-12(10-5-2-1-3-6-10)15-13(17)11-7-4-8-14-11/h1-8,12,14,16H,9H2,(H,15,17)
InChIKeyVUTBZCZEUHJNLD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.48
Rot. Bonds4

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

N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 63184689) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
PubChem CID63184689
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C13H14N2O2/c16-9-12(10-5-2-1-3-6-10)15-13(17)11-7-4-8-14-11/h1-8,12,14,16H,9H2,(H,15,17)
InChIKeyVUTBZCZEUHJNLD-UHFFFAOYSA-N
XLogP1.48
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 103945014
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 159006341
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 157294657
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide (CID 63184689) is N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide is O=C(NC(CO)c1ccccc1)c1ccc[nH]1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is VUTBZCZEUHJNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-9-12(10-5-2-1-3-6-10)15-13(17)11-7-4-8-14-11/h1-8,12,14,16H,9H2,(H,15,17).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide?
N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 63184689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).