4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide

C26H31Cl2FN2O2 — CID 24952651

IUPAC4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CCN2CCC(Oc3ccc(F)cc3Cl)CC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C26H31Cl2FN2O2/c27-20-5-3-19(4-6-20)26(32)30-22-8-1-18(2-9-22)11-14-31-15-12-23(13-16-31)33-25-10-7-21(29)17-24(25)28/h3-7,10,17-18,22-23H,1-2,8-9,11-16H2,(H,30,32)
InChIKeyPZKDBLISVOUVKH-UHFFFAOYSA-N
MW493.45 g/mol
LogP6.35
Rot. Bonds7

About 4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide

4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide (PubChem CID 24952651) has the molecular formula C26H31Cl2FN2O2 and a molecular weight of 493.45 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
PubChem CID24952651
Molecular FormulaC26H31Cl2FN2O2
Molecular Weight493.45 g/mol
Exact Mass492.17
IUPAC Name4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CCN2CCC(Oc3ccc(F)cc3Cl)CC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C26H31Cl2FN2O2/c27-20-5-3-19(4-6-20)26(32)30-22-8-1-18(2-9-22)11-14-31-15-12-23(13-16-31)33-25-10-7-21(29)17-24(25)28/h3-7,10,17-18,22-23H,1-2,8-9,11-16H2,(H,30,32)
InChIKeyPZKDBLISVOUVKH-UHFFFAOYSA-N
XLogP6.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.45
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide (CID 24952651) is 4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide is O=C(NC1CCC(CCN2CCC(Oc3ccc(F)cc3Cl)CC2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
The InChIKey is PZKDBLISVOUVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2FN2O2/c27-20-5-3-19(4-6-20)26(32)30-22-8-1-18(2-9-22)11-14-31-15-12-23(13-16-31)33-25-10-7-21(29)17-24(25)28/h3-7,10,17-18,22-23H,1-2,8-9,11-16H2,(H,30,32).
What are the key properties of 4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide has a molecular weight of 493.45 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide is sourced from PubChem (CID 24952651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).