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

C26H32ClFN2O2 — CID 68902839

IUPACN-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CCN2CCC(Oc3ccc(F)cc3Cl)CC2)CC1)c1ccccc1
InChIInChI=1S/C26H32ClFN2O2/c27-24-18-21(28)8-11-25(24)32-23-13-16-30(17-14-23)15-12-19-6-9-22(10-7-19)29-26(31)20-4-2-1-3-5-20/h1-5,8,11,18-19,22-23H,6-7,9-10,12-17H2,(H,29,31)
InChIKeyXBBJSPRTMUSYRZ-UHFFFAOYSA-N
MW459.01 g/mol
LogP5.70
Rot. Bonds7

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

N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide (PubChem CID 68902839) has the molecular formula C26H32ClFN2O2 and a molecular weight of 459.01 g/mol. Its IUPAC name is N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
PubChem CID68902839
Molecular FormulaC26H32ClFN2O2
Molecular Weight459.01 g/mol
Exact Mass458.21
IUPAC NameN-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CCN2CCC(Oc3ccc(F)cc3Cl)CC2)CC1)c1ccccc1
InChIInChI=1S/C26H32ClFN2O2/c27-24-18-21(28)8-11-25(24)32-23-13-16-30(17-14-23)15-12-19-6-9-22(10-7-19)29-26(31)20-4-2-1-3-5-20/h1-5,8,11,18-19,22-23H,6-7,9-10,12-17H2,(H,29,31)
InChIKeyXBBJSPRTMUSYRZ-UHFFFAOYSA-N
XLogP5.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.01
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
CID 24952651
[4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamic acid
CID 71268437
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 33103568
3-chloro-N-cyclopentyl-4-[1-(2-hydroxyethyl)piperidin-4-yl]oxybenzamide
CID 72877025
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 71268472
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-4-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 44526159
N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
CID 25018367
N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide
CID 68503417
4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 68506253
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyrrol-1-ylbenzamide
CID 66627561
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
The IUPAC name of N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide (CID 68902839) is N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide.
What is the SMILES notation for N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
The canonical SMILES for N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide is O=C(NC1CCC(CCN2CCC(Oc3ccc(F)cc3Cl)CC2)CC1)c1ccccc1.
What is the InChIKey of N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
The InChIKey is XBBJSPRTMUSYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClFN2O2/c27-24-18-21(28)8-11-25(24)32-23-13-16-30(17-14-23)15-12-19-6-9-22(10-7-19)29-26(31)20-4-2-1-3-5-20/h1-5,8,11,18-19,22-23H,6-7,9-10,12-17H2,(H,29,31).
What are the key properties of N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide has a molecular weight of 459.01 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide is sourced from PubChem (CID 68902839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).