4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide

C23H24N2O2 — CID 125439753

IUPAC4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide
SMILESN#CC1(c2ccc(-c3ccc(C(=O)N[C@@H]4CCOC4)cc3)cc2)CCCC1
InChIInChI=1S/C23H24N2O2/c24-16-23(12-1-2-13-23)20-9-7-18(8-10-20)17-3-5-19(6-4-17)22(26)25-21-11-14-27-15-21/h3-10,21H,1-2,11-15H2,(H,25,26)/t21-/m1/s1
InChIKeyJPLDXMNOEHMOCL-OAQYLSRUSA-N
MW360.46 g/mol
LogP4.21
Rot. Bonds4

About 4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide

4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide (PubChem CID 125439753) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide
PubChem CID125439753
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide
SMILESN#CC1(c2ccc(-c3ccc(C(=O)N[C@@H]4CCOC4)cc3)cc2)CCCC1
InChIInChI=1S/C23H24N2O2/c24-16-23(12-1-2-13-23)20-9-7-18(8-10-20)17-3-5-19(6-4-17)22(26)25-21-11-14-27-15-21/h3-10,21H,1-2,11-15H2,(H,25,26)/t21-/m1/s1
InChIKeyJPLDXMNOEHMOCL-OAQYLSRUSA-N
XLogP4.21
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
4-(1-cyanocyclopropyl)-N-(3,3-difluorocyclobutyl)benzamide
CID 154793755
4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide
CID 119070352
4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 70734205
N-(oxolan-3-yl)furan-3-carboxamide
CID 130743970
N-[4-(1-cyanocyclopentyl)phenyl]benzamide
CID 766970
4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 126447092
4-(N'-hydroxycarbamimidoyl)-N-(oxan-3-yl)benzamide
CID 76995462
4-morpholin-4-ylsulfonyl-N-(oxolan-3-yl)benzamide
CID 110868803
4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide
CID 119338734
N-cyclohexyl-4-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 97154955
5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide
CID 126425253

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide?
The IUPAC name of 4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide (CID 125439753) is 4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide.
What is the SMILES notation for 4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide?
The canonical SMILES for 4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide is N#CC1(c2ccc(-c3ccc(C(=O)N[C@@H]4CCOC4)cc3)cc2)CCCC1.
What is the InChIKey of 4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide?
The InChIKey is JPLDXMNOEHMOCL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N2O2/c24-16-23(12-1-2-13-23)20-9-7-18(8-10-20)17-3-5-19(6-4-17)22(26)25-21-11-14-27-15-21/h3-10,21H,1-2,11-15H2,(H,25,26)/t21-/m1/s1.
What are the key properties of 4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide?
4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-cyanocyclopentyl)phenyl]-N-[(3R)-oxolan-3-yl]benzamide is sourced from PubChem (CID 125439753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).