N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H15FN2O2 — CID 64780116

IUPACN-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H15FN2O2/c1-9(2)17-7-3-4-12(17)14(19)16-10-5-6-13(18)11(15)8-10/h3-9,18H,1-2H3,(H,16,19)
InChIKeyYQTOVGZIHHJZJR-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.17
Rot. Bonds3

About N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide

N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 64780116) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID64780116
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H15FN2O2/c1-9(2)17-7-3-4-12(17)14(19)16-10-5-6-13(18)11(15)8-10/h3-9,18H,1-2H3,(H,16,19)
InChIKeyYQTOVGZIHHJZJR-UHFFFAOYSA-N
XLogP3.17
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-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-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 64780116) is N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is YQTOVGZIHHJZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9(2)17-7-3-4-12(17)14(19)16-10-5-6-13(18)11(15)8-10/h3-9,18H,1-2H3,(H,16,19).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 64780116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).