N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide

C11H9FN2O2 — CID 64780693

IUPACN-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1ccc[nH]1
InChIInChI=1S/C11H9FN2O2/c12-8-6-7(3-4-10(8)15)14-11(16)9-2-1-5-13-9/h1-6,13,15H,(H,14,16)
InChIKeyGBBAJFSQAMCURY-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.11
Rot. Bonds2

About N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide

N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 64780693) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
PubChem CID64780693
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1ccc[nH]1
InChIInChI=1S/C11H9FN2O2/c12-8-6-7(3-4-10(8)15)14-11(16)9-2-1-5-13-9/h1-6,13,15H,(H,14,16)
InChIKeyGBBAJFSQAMCURY-UHFFFAOYSA-N
XLogP2.11
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide (CID 64780693) is N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(O)c(F)c1)c1ccc[nH]1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is GBBAJFSQAMCURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-8-6-7(3-4-10(8)15)14-11(16)9-2-1-5-13-9/h1-6,13,15H,(H,14,16).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 220.20 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 64780693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).