2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide

C22H27ClFN5O2 — CID 69116070

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC1CCCCC1n1cc(C(=O)N2CCCCC2)nn1
InChIInChI=1S/C22H27ClFN5O2/c23-16-7-6-8-17(24)15(16)13-21(30)25-18-9-2-3-10-20(18)29-14-19(26-27-29)22(31)28-11-4-1-5-12-28/h6-8,14,18,20H,1-5,9-13H2,(H,25,30)
InChIKeyFBOLXNCZJGQYPC-UHFFFAOYSA-N
MW447.94 g/mol
LogP3.54
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide (PubChem CID 69116070) has the molecular formula C22H27ClFN5O2 and a molecular weight of 447.94 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide
PubChem CID69116070
Molecular FormulaC22H27ClFN5O2
Molecular Weight447.94 g/mol
Exact Mass447.18
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC1CCCCC1n1cc(C(=O)N2CCCCC2)nn1
InChIInChI=1S/C22H27ClFN5O2/c23-16-7-6-8-17(24)15(16)13-21(30)25-18-9-2-3-10-20(18)29-14-19(26-27-29)22(31)28-11-4-1-5-12-28/h6-8,14,18,20H,1-5,9-13H2,(H,25,30)
InChIKeyFBOLXNCZJGQYPC-UHFFFAOYSA-N
XLogP3.54
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide (CID 69116070) is 2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide is O=C(Cc1c(F)cccc1Cl)NC1CCCCC1n1cc(C(=O)N2CCCCC2)nn1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide?
The InChIKey is FBOLXNCZJGQYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN5O2/c23-16-7-6-8-17(24)15(16)13-21(30)25-18-9-2-3-10-20(18)29-14-19(26-27-29)22(31)28-11-4-1-5-12-28/h6-8,14,18,20H,1-5,9-13H2,(H,25,30).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide has a molecular weight of 447.94 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]cyclohexyl]acetamide is sourced from PubChem (CID 69116070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).