4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide

C16H18N2O2 — CID 146987557

IUPAC4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(C#N)cc1)C1[C@H]2CC(O)C[C@@H]12
InChIInChI=1S/C16H18N2O2/c1-9(15-13-6-12(19)7-14(13)15)18-16(20)11-4-2-10(8-17)3-5-11/h2-5,9,12-15,19H,6-7H2,1H3,(H,18,20)/t9-,12?,13-,14+,15?/m1/s1
InChIKeyAPOFBMMXPKHMLO-CJOKRKFDSA-N
MW270.33 g/mol
LogP1.69
Rot. Bonds3

About 4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide

4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide (PubChem CID 146987557) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
PubChem CID146987557
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(C#N)cc1)C1[C@H]2CC(O)C[C@@H]12
InChIInChI=1S/C16H18N2O2/c1-9(15-13-6-12(19)7-14(13)15)18-16(20)11-4-2-10(8-17)3-5-11/h2-5,9,12-15,19H,6-7H2,1H3,(H,18,20)/t9-,12?,13-,14+,15?/m1/s1
InChIKeyAPOFBMMXPKHMLO-CJOKRKFDSA-N
XLogP1.69
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide with MolForge

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Related Compounds

4-cyano-N-[(1S)-1-[(1R,5S)-3-(6-fluoroquinazolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
CID 153289131
N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
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N-but-3-en-2-yl-4-cyanobenzamide
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N-(1-bromopropan-2-yl)-4-cyanobenzamide
CID 114310444
N-(5-bromopentan-2-yl)-4-cyanobenzamide
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4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
4-cyano-N-(1-spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-ylethyl)benzamide
CID 138553611
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(4-cyanobenzoyl)amino]urea
CID 49120421
4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
CID 64724364
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide?
The IUPAC name of 4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide (CID 146987557) is 4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide is C[C@@H](NC(=O)c1ccc(C#N)cc1)C1[C@H]2CC(O)C[C@@H]12.
What is the InChIKey of 4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide?
The InChIKey is APOFBMMXPKHMLO-CJOKRKFDSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-9(15-13-6-12(19)7-14(13)15)18-16(20)11-4-2-10(8-17)3-5-11/h2-5,9,12-15,19H,6-7H2,1H3,(H,18,20)/t9-,12?,13-,14+,15?/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide?
4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide is sourced from PubChem (CID 146987557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).