(1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide

C14H15F3N2O2 — CID 74250515

IUPAC(1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1F)N1C[C@H]2CC[C@@H](C1)C2O
InChIInChI=1S/C14H15F3N2O2/c15-9-3-10(16)12(17)11(4-9)18-14(21)19-5-7-1-2-8(6-19)13(7)20/h3-4,7-8,13,20H,1-2,5-6H2,(H,18,21)/t7-,8+,13?
InChIKeyXASQDUVQBQLRGB-RKSAZJRESA-N
MW300.28 g/mol
LogP2.34
Rot. Bonds1

About (1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide

(1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 74250515) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is (1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID74250515
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name(1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1F)N1C[C@H]2CC[C@@H](C1)C2O
InChIInChI=1S/C14H15F3N2O2/c15-9-3-10(16)12(17)11(4-9)18-14(21)19-5-7-1-2-8(6-19)13(7)20/h3-4,7-8,13,20H,1-2,5-6H2,(H,18,21)/t7-,8+,13?
InChIKeyXASQDUVQBQLRGB-RKSAZJRESA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide with MolForge

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Related Compounds

methyl 2-[1-[(2,3,5-trifluorophenyl)carbamoyl]pyrrolidin-3-yl]acetate
CID 74235650
1-[(2,3,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62812905
N-(2,4-difluorophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 102680613
(1R,5S)-8-hydroxy-N-(4-methoxy-2-methylphenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 118789979
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-fluorobenzoic acid
CID 106670745
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
N-(2,3,5-trifluorophenyl)carbamothioyl chloride
CID 135379068
4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439185
N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103626

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of (1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide (CID 74250515) is (1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for (1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for (1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide is O=C(Nc1cc(F)cc(F)c1F)N1C[C@H]2CC[C@@H](C1)C2O.
What is the InChIKey of (1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is XASQDUVQBQLRGB-RKSAZJRESA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-9-3-10(16)12(17)11(4-9)18-14(21)19-5-7-1-2-8(6-19)13(7)20/h3-4,7-8,13,20H,1-2,5-6H2,(H,18,21)/t7-,8+,13?.
What are the key properties of (1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide?
(1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-hydroxy-N-(2,3,5-trifluorophenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 74250515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).