2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide

C14H18FN3O — CID 43696372

IUPAC2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
SMILESNc1ccc(F)cc1C(=O)NC1CCN2CCCC12
InChIInChI=1S/C14H18FN3O/c15-9-3-4-11(16)10(8-9)14(19)17-12-5-7-18-6-1-2-13(12)18/h3-4,8,12-13H,1-2,5-7,16H2,(H,17,19)
InChIKeyKFIWZPWRXAIPBX-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide

2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide (PubChem CID 43696372) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
PubChem CID43696372
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
SMILESNc1ccc(F)cc1C(=O)NC1CCN2CCCC12
InChIInChI=1S/C14H18FN3O/c15-9-3-4-11(16)10(8-9)14(19)17-12-5-7-18-6-1-2-13(12)18/h3-4,8,12-13H,1-2,5-7,16H2,(H,17,19)
InChIKeyKFIWZPWRXAIPBX-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
CID 62366282
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CID 119946727
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
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N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide
CID 47036307
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)benzoic acid
CID 60941055
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-hydrazinylbenzamide
CID 62247113
2-amino-5-fluoro-N-(2-methoxycyclopentyl)benzamide
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2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
CID 103765484
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-nitropyridine-3-carboxamide
CID 104586290
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-nitrobenzamide
CID 115679070
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718095

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide (CID 43696372) is 2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide is Nc1ccc(F)cc1C(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
The InChIKey is KFIWZPWRXAIPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-9-3-4-11(16)10(8-9)14(19)17-12-5-7-18-6-1-2-13(12)18/h3-4,8,12-13H,1-2,5-7,16H2,(H,17,19).
What are the key properties of 2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide?
2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide has a molecular weight of 263.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide is sourced from PubChem (CID 43696372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).