3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C23H26ClN3O2 — CID 57344336

IUPAC3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C23H26ClN3O2/c1-22(2)12-17(13-23(3,4)27-22)26-21(28)15-9-10-20(18(24)11-15)29-19-8-6-5-7-16(19)14-25/h5-11,17,27H,12-13H2,1-4H3,(H,26,28)
InChIKeyKNXCUUQQZLJSCT-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.04
Rot. Bonds4

About 3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 57344336) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID57344336
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C23H26ClN3O2/c1-22(2)12-17(13-23(3,4)27-22)26-21(28)15-9-10-20(18(24)11-15)29-19-8-6-5-7-16(19)14-25/h5-11,17,27H,12-13H2,1-4H3,(H,26,28)
InChIKeyKNXCUUQQZLJSCT-UHFFFAOYSA-N
XLogP5.04
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678992
3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123882526
4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123471044
3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide
CID 90655839
4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679263
3-chloro-4-[2-(1-hydroxyethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679606
2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile
CID 158066458
4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123730227
3-chloro-4-[2-(phenylcarbamoyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679341
3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679333
4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678986
methyl 5-[2-[2-chloro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]phenoxy]phenyl]pyridine-3-carboxylate
CID 67679483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 57344336) is 3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC(C)(C)N1.
What is the InChIKey of 3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is KNXCUUQQZLJSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-22(2)12-17(13-23(3,4)27-22)26-21(28)15-9-10-20(18(24)11-15)29-19-8-6-5-7-16(19)14-25/h5-11,17,27H,12-13H2,1-4H3,(H,26,28).
What are the key properties of 3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 411.93 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 57344336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).