N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide

C13H13FN2O2 — CID 175755570

IUPACN-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NC(CO)c1ccc(F)cc1)c1cc[nH]c1
InChIInChI=1S/C13H13FN2O2/c14-11-3-1-9(2-4-11)12(8-17)16-13(18)10-5-6-15-7-10/h1-7,12,15,17H,8H2,(H,16,18)
InChIKeyJUEWCURVIYKFJO-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.62
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide

N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide (PubChem CID 175755570) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide
PubChem CID175755570
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NC(CO)c1ccc(F)cc1)c1cc[nH]c1
InChIInChI=1S/C13H13FN2O2/c14-11-3-1-9(2-4-11)12(8-17)16-13(18)10-5-6-15-7-10/h1-7,12,15,17H,8H2,(H,16,18)
InChIKeyJUEWCURVIYKFJO-UHFFFAOYSA-N
XLogP1.62
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide (CID 175755570) is N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide is O=C(NC(CO)c1ccc(F)cc1)c1cc[nH]c1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is JUEWCURVIYKFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-11-3-1-9(2-4-11)12(8-17)16-13(18)10-5-6-15-7-10/h1-7,12,15,17H,8H2,(H,16,18).
What are the key properties of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide?
N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 175755570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).