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

C14H13FN2O2 — CID 64780126

IUPAC1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1cccn1C1CC1
InChIInChI=1S/C14H13FN2O2/c15-11-8-9(3-6-13(11)18)16-14(19)12-2-1-7-17(12)10-4-5-10/h1-3,6-8,10,18H,4-5H2,(H,16,19)
InChIKeyQGISZZXEWRCBBQ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.92
Rot. Bonds3

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

1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide (PubChem CID 64780126) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide
PubChem CID64780126
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1cccn1C1CC1
InChIInChI=1S/C14H13FN2O2/c15-11-8-9(3-6-13(11)18)16-14(19)12-2-1-7-17(12)10-4-5-10/h1-3,6-8,10,18H,4-5H2,(H,16,19)
InChIKeyQGISZZXEWRCBBQ-UHFFFAOYSA-N
XLogP2.92
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide (CID 64780126) is 1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide is O=C(Nc1ccc(O)c(F)c1)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide?
The InChIKey is QGISZZXEWRCBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-11-8-9(3-6-13(11)18)16-14(19)12-2-1-7-17(12)10-4-5-10/h1-3,6-8,10,18H,4-5H2,(H,16,19).
What are the key properties of 1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide?
1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 64780126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).