2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide

C25H28Cl2N2O2 — CID 10095718

IUPAC2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)C[C@@H]12)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H28Cl2N2O2/c26-21-11-10-16(12-22(21)27)13-29-14-19-20(15-29)23(19)28-24(30)25(31,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,10-12,18-20,23,31H,4-5,8-9,13-15H2,(H,28,30)/t19-,20+,23?,25?
InChIKeyFJGUJGQQRDXSIK-QSSFBDHNSA-N
MW459.42 g/mol
LogP4.62
Rot. Bonds6

About 2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide

2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 10095718) has the molecular formula C25H28Cl2N2O2 and a molecular weight of 459.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
PubChem CID10095718
Molecular FormulaC25H28Cl2N2O2
Molecular Weight459.42 g/mol
Exact Mass458.15
IUPAC Name2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)C[C@@H]12)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H28Cl2N2O2/c26-21-11-10-16(12-22(21)27)13-29-14-19-20(15-29)23(19)28-24(30)25(31,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,10-12,18-20,23,31H,4-5,8-9,13-15H2,(H,28,30)/t19-,20+,23?,25?
InChIKeyFJGUJGQQRDXSIK-QSSFBDHNSA-N
XLogP4.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
2-cyclopentyl-2-hydroxy-N-[(1S,5R)-3-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 10026270
2-cyclopentyl-N-[3-[(3,4-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 68905575
N-[(5R)-3-[(3-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68904416
N-[3-[2-(4-chlorophenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68901585
2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 68904289
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide
CID 11755574
2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901588
(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 91930079
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide
CID 10050623
(2R)-N-[[[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 16718276
2-cyclohexyl-2-hydroxy-2-phenyl-N-[[[(1R,5S)-3-(pyridin-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]acetamide
CID 16717926

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide (CID 10095718) is 2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide is O=C(NC1[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)C[C@@H]12)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is FJGUJGQQRDXSIK-QSSFBDHNSA-N. The full InChI is InChI=1S/C25H28Cl2N2O2/c26-21-11-10-16(12-22(21)27)13-29-14-19-20(15-29)23(19)28-24(30)25(31,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,10-12,18-20,23,31H,4-5,8-9,13-15H2,(H,28,30)/t19-,20+,23?,25?.
What are the key properties of 2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide?
2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 459.42 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10095718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).