3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide

C21H28ClF3N2O2 — CID 25295558

IUPAC3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
SMILESC[C@H](CC(F)(F)F)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1
InChIInChI=1S/C21H28ClF3N2O2/c1-14(13-21(23,24)25)27-10-8-17(9-11-27)29-19-7-6-15(12-18(19)22)20(28)26-16-4-2-3-5-16/h6-7,12,14,16-17H,2-5,8-11,13H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyZPTJURRBJVOHLF-CQSZACIVSA-N
MW432.91 g/mol
LogP5.20
Rot. Bonds6

About 3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide

3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide (PubChem CID 25295558) has the molecular formula C21H28ClF3N2O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
PubChem CID25295558
Molecular FormulaC21H28ClF3N2O2
Molecular Weight432.91 g/mol
Exact Mass432.18
IUPAC Name3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
SMILESC[C@H](CC(F)(F)F)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1
InChIInChI=1S/C21H28ClF3N2O2/c1-14(13-21(23,24)25)27-10-8-17(9-11-27)29-19-7-6-15(12-18(19)22)20(28)26-16-4-2-3-5-16/h6-7,12,14,16-17H,2-5,8-11,13H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyZPTJURRBJVOHLF-CQSZACIVSA-N
XLogP5.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide (CID 25295558) is 3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide is C[C@H](CC(F)(F)F)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1.
What is the InChIKey of 3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide?
The InChIKey is ZPTJURRBJVOHLF-CQSZACIVSA-N. The full InChI is InChI=1S/C21H28ClF3N2O2/c1-14(13-21(23,24)25)27-10-8-17(9-11-27)29-19-7-6-15(12-18(19)22)20(28)26-16-4-2-3-5-16/h6-7,12,14,16-17H,2-5,8-11,13H2,1H3,(H,26,28)/t14-/m1/s1.
What are the key properties of 3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide?
3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide has a molecular weight of 432.91 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25295558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).