(2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide

C19H24F2N2O2 — CID 10089233

IUPAC(2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
SMILESO=C(NCC1[C@H]2CNC[C@@H]12)[C@](O)(c1ccccc1)C1CCC(F)(F)C1
InChIInChI=1S/C19H24F2N2O2/c20-18(21)7-6-13(8-18)19(25,12-4-2-1-3-5-12)17(24)23-11-16-14-9-22-10-15(14)16/h1-5,13-16,22,25H,6-11H2,(H,23,24)/t13?,14-,15+,16?,19-/m0/s1
InChIKeyWJYWQYIWHHNJHZ-AXGRQPESSA-N
MW350.41 g/mol
LogP1.89
Rot. Bonds5

About (2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide

(2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide (PubChem CID 10089233) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is (2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
PubChem CID10089233
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name(2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
SMILESO=C(NCC1[C@H]2CNC[C@@H]12)[C@](O)(c1ccccc1)C1CCC(F)(F)C1
InChIInChI=1S/C19H24F2N2O2/c20-18(21)7-6-13(8-18)19(25,12-4-2-1-3-5-12)17(24)23-11-16-14-9-22-10-15(14)16/h1-5,13-16,22,25H,6-11H2,(H,23,24)/t13?,14-,15+,16?,19-/m0/s1
InChIKeyWJYWQYIWHHNJHZ-AXGRQPESSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide with MolForge

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Related Compounds

N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride
CID 11689131
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetic acid;hydrobromide
CID 69081566
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-hydroxy-3-methyl-2-phenylbutanamide;hydrochloride
CID 11544365
(4-hydroxypiperidin-4-yl)methyl 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate
CID 22594642
(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 102016686
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide
CID 10468467
(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide
CID 69309723
(2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride
CID 70262560
(3,3-dimethyl-3-azoniabicyclo[3.1.0]hexan-6-yl)methyl (2R)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate
CID 25031749
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 10646948
4-aminobutyl 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate
CID 22594500
(2S)-N-[(3-azabicyclo[3.1.0]hexan-6-ylamino)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide;hydrochloride
CID 11653500

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide (CID 10089233) is (2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide is O=C(NCC1[C@H]2CNC[C@@H]12)[C@](O)(c1ccccc1)C1CCC(F)(F)C1.
What is the InChIKey of (2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide?
The InChIKey is WJYWQYIWHHNJHZ-AXGRQPESSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c20-18(21)7-6-13(8-18)19(25,12-4-2-1-3-5-12)17(24)23-11-16-14-9-22-10-15(14)16/h1-5,13-16,22,25H,6-11H2,(H,23,24)/t13?,14-,15+,16?,19-/m0/s1.
What are the key properties of (2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide?
(2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide has a molecular weight of 350.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10089233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).