4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide

C23H26ClF2NO2 — CID 164613724

IUPAC4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C23H26ClF2NO2/c1-2-21(27-22(28)18-7-11-19(24)12-8-18)17-5-3-15(4-6-17)16-9-13-20(14-10-16)29-23(25)26/h7-15,17,21,23H,2-6H2,1H3,(H,27,28)/t15?,17?,21-/m1/s1
InChIKeySDIUSLFDEJUDDL-AEJJIKPWSA-N
MW421.92 g/mol
LogP6.42
Rot. Bonds7

About 4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide

4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide (PubChem CID 164613724) has the molecular formula C23H26ClF2NO2 and a molecular weight of 421.92 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide
PubChem CID164613724
Molecular FormulaC23H26ClF2NO2
Molecular Weight421.92 g/mol
Exact Mass421.16
IUPAC Name4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C23H26ClF2NO2/c1-2-21(27-22(28)18-7-11-19(24)12-8-18)17-5-3-15(4-6-17)16-9-13-20(14-10-16)29-23(25)26/h7-15,17,21,23H,2-6H2,1H3,(H,27,28)/t15?,17?,21-/m1/s1
InChIKeySDIUSLFDEJUDDL-AEJJIKPWSA-N
XLogP6.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.92
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide (CID 164613724) is 4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide is CC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide?
The InChIKey is SDIUSLFDEJUDDL-AEJJIKPWSA-N. The full InChI is InChI=1S/C23H26ClF2NO2/c1-2-21(27-22(28)18-7-11-19(24)12-8-18)17-5-3-15(4-6-17)16-9-13-20(14-10-16)29-23(25)26/h7-15,17,21,23H,2-6H2,1H3,(H,27,28)/t15?,17?,21-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide?
4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide has a molecular weight of 421.92 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]propyl]benzamide is sourced from PubChem (CID 164613724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).