N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

C19H25ClN2O2 — CID 91048962

IUPACN-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
SMILESO=C(NCC12C[C@@H]1CN(Cl)C2)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H25ClN2O2/c20-22-11-16-10-18(16,13-22)12-21-17(23)19(24,15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,24H,4-5,8-13H2,(H,21,23)/t16-,18?,19?/m1/s1
InChIKeyQLMAUNPEEXWNPS-IPJUCJBFSA-N
MW348.87 g/mol
LogP2.66
Rot. Bonds5

About N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (PubChem CID 91048962) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
PubChem CID91048962
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
SMILESO=C(NCC12C[C@@H]1CN(Cl)C2)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H25ClN2O2/c20-22-11-16-10-18(16,13-22)12-21-17(23)19(24,15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,24H,4-5,8-13H2,(H,21,23)/t16-,18?,19?/m1/s1
InChIKeyQLMAUNPEEXWNPS-IPJUCJBFSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
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CID 19775509
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]acetamide
CID 69309723
N-[(3-benzhydryl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 11179117
2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 11201313
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride
CID 11689131
2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide
CID 14931307
(2S)-N-[(3-azabicyclo[3.1.0]hexan-6-ylamino)methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide;hydrochloride
CID 11653500
N-[amino-[3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide
CID 69142749
(2S)-2-cyclopentyl-2-hydroxy-N-[[3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 69309714

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (CID 91048962) is N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide is O=C(NCC12C[C@@H]1CN(Cl)C2)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The InChIKey is QLMAUNPEEXWNPS-IPJUCJBFSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-22-11-16-10-18(16,13-22)12-21-17(23)19(24,15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,24H,4-5,8-13H2,(H,21,23)/t16-,18?,19?/m1/s1.
What are the key properties of N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide has a molecular weight of 348.87 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-chloro-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 91048962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).