N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide

C19H22FN3O — CID 10245886

IUPACN-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide
SMILESO=C(NC1CC2CCN(CC2)C1)n1ccc(-c2cccc(F)c2)c1
InChIInChI=1S/C19H22FN3O/c20-17-3-1-2-15(11-17)16-6-9-23(12-16)19(24)21-18-10-14-4-7-22(13-18)8-5-14/h1-3,6,9,11-12,14,18H,4-5,7-8,10,13H2,(H,21,24)
InChIKeyJKPHNMYWZXGMCY-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.34
Rot. Bonds2

About N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide

N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide (PubChem CID 10245886) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide
PubChem CID10245886
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide
SMILESO=C(NC1CC2CCN(CC2)C1)n1ccc(-c2cccc(F)c2)c1
InChIInChI=1S/C19H22FN3O/c20-17-3-1-2-15(11-17)16-6-9-23(12-16)19(24)21-18-10-14-4-7-22(13-18)8-5-14/h1-3,6,9,11-12,14,18H,4-5,7-8,10,13H2,(H,21,24)
InChIKeyJKPHNMYWZXGMCY-UHFFFAOYSA-N
XLogP3.34
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide (CID 10245886) is N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide is O=C(NC1CC2CCN(CC2)C1)n1ccc(-c2cccc(F)c2)c1.
What is the InChIKey of N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide?
The InChIKey is JKPHNMYWZXGMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-17-3-1-2-15(11-17)16-6-9-23(12-16)19(24)21-18-10-14-4-7-22(13-18)8-5-14/h1-3,6,9,11-12,14,18H,4-5,7-8,10,13H2,(H,21,24).
What are the key properties of N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide?
N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide is sourced from PubChem (CID 10245886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).