N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide

C16H17FN2O3 — CID 54733182

IUPACN-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N2CCCCC12
InChIInChI=1S/C16H17FN2O3/c17-11-6-4-10(5-7-11)9-18-15(21)13-12-3-1-2-8-19(12)16(22)14(13)20/h4-7,12,20H,1-3,8-9H2,(H,18,21)
InChIKeyNHCFEOHLENNJPQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.65
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide

N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide (PubChem CID 54733182) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
PubChem CID54733182
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N2CCCCC12
InChIInChI=1S/C16H17FN2O3/c17-11-6-4-10(5-7-11)9-18-15(21)13-12-3-1-2-8-19(12)16(22)14(13)20/h4-7,12,20H,1-3,8-9H2,(H,18,21)
InChIKeyNHCFEOHLENNJPQ-UHFFFAOYSA-N
XLogP1.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide (CID 54733182) is N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide is O=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N2CCCCC12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide?
The InChIKey is NHCFEOHLENNJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-11-6-4-10(5-7-11)9-18-15(21)13-12-3-1-2-8-19(12)16(22)14(13)20/h4-7,12,20H,1-3,8-9H2,(H,18,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide is sourced from PubChem (CID 54733182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).