(1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C16H21FN2O2 — CID 86294066

IUPAC(1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1ccccc1F)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C16H21FN2O2/c1-16(2,9-21-13-6-4-3-5-12(13)17)19-15(20)14-10-7-18-8-11(10)14/h3-6,10-11,14,18H,7-9H2,1-2H3,(H,19,20)/t10-,11+,14?
InChIKeyLOFPYXALKXFQLL-BVUQATHDSA-N
MW292.35 g/mol
LogP1.56
Rot. Bonds5

About (1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86294066) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86294066
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1ccccc1F)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C16H21FN2O2/c1-16(2,9-21-13-6-4-3-5-12(13)17)19-15(20)14-10-7-18-8-11(10)14/h3-6,10-11,14,18H,7-9H2,1-2H3,(H,19,20)/t10-,11+,14?
InChIKeyLOFPYXALKXFQLL-BVUQATHDSA-N
XLogP1.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

(1S,5R)-N-[2-methyl-1-[(2-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294249
(5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 144745325
(1S,5R)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294449
6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
CID 83820223
(1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 130662861
2-fluoro-3-(2-fluorophenoxy)-2-methylpropan-1-amine
CID 105453372
(5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 139459325
3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402416
2-(2-fluorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100769314
2-(2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 110488066
methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate
CID 63919008
(1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 121419230

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86294066) is (1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(COc1ccccc1F)NC(=O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LOFPYXALKXFQLL-BVUQATHDSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-16(2,9-21-13-6-4-3-5-12(13)17)19-15(20)14-10-7-18-8-11(10)14/h3-6,10-11,14,18H,7-9H2,1-2H3,(H,19,20)/t10-,11+,14?.
What are the key properties of (1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86294066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).