(1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C26H31ClN2O — CID 66550489

IUPAC(1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1[C@H]2CN(C3CCC(c4ccccc4)CC3)C[C@@H]12
InChIInChI=1S/C26H31ClN2O/c27-21-8-4-5-18(15-21)13-14-28-26(30)25-23-16-29(17-24(23)25)22-11-9-20(10-12-22)19-6-2-1-3-7-19/h1-8,15,20,22-25H,9-14,16-17H2,(H,28,30)/t20?,22?,23-,24+,25?
InChIKeyVZPSPUIUACSXHK-RZOYRULCSA-N
MW423.00 g/mol
LogP4.90
Rot. Bonds6

About (1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 66550489) has the molecular formula C26H31ClN2O and a molecular weight of 423.00 g/mol. Its IUPAC name is (1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID66550489
Molecular FormulaC26H31ClN2O
Molecular Weight423.00 g/mol
Exact Mass422.21
IUPAC Name(1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1[C@H]2CN(C3CCC(c4ccccc4)CC3)C[C@@H]12
InChIInChI=1S/C26H31ClN2O/c27-21-8-4-5-18(15-21)13-14-28-26(30)25-23-16-29(17-24(23)25)22-11-9-20(10-12-22)19-6-2-1-3-7-19/h1-8,15,20,22-25H,9-14,16-17H2,(H,28,30)/t20?,22?,23-,24+,25?
InChIKeyVZPSPUIUACSXHK-RZOYRULCSA-N
XLogP4.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.00
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

4-phenyl-1-[(1S,5R)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butan-1-one
CID 159040050
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467
(1S,2S,3S,4S)-3-[2-(3-chlorophenyl)ethylcarbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylate
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CID 63006996
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CID 76897371
N-[2-(3-chlorophenyl)ethyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
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3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 66550489) is (1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is O=C(NCCc1cccc(Cl)c1)C1[C@H]2CN(C3CCC(c4ccccc4)CC3)C[C@@H]12.
What is the InChIKey of (1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is VZPSPUIUACSXHK-RZOYRULCSA-N. The full InChI is InChI=1S/C26H31ClN2O/c27-21-8-4-5-18(15-21)13-14-28-26(30)25-23-16-29(17-24(23)25)22-11-9-20(10-12-22)19-6-2-1-3-7-19/h1-8,15,20,22-25H,9-14,16-17H2,(H,28,30)/t20?,22?,23-,24+,25?.
What are the key properties of (1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 423.00 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[2-(3-chlorophenyl)ethyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 66550489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).