3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide

C25H30ClN3O3 — CID 90655839

IUPAC3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC(C)(C)N1CCO
InChIInChI=1S/C25H30ClN3O3/c1-24(2)14-19(15-25(3,4)29(24)11-12-30)28-23(31)17-9-10-22(20(26)13-17)32-21-8-6-5-7-18(21)16-27/h5-10,13,19,30H,11-12,14-15H2,1-4H3,(H,28,31)
InChIKeySSQLXUYAMWWKFG-UHFFFAOYSA-N
MW455.99 g/mol
LogP4.75
Rot. Bonds6

About 3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide

3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide (PubChem CID 90655839) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is 3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide
PubChem CID90655839
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC Name3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC(C)(C)N1CCO
InChIInChI=1S/C25H30ClN3O3/c1-24(2)14-19(15-25(3,4)29(24)11-12-30)28-23(31)17-9-10-22(20(26)13-17)32-21-8-6-5-7-18(21)16-27/h5-10,13,19,30H,11-12,14-15H2,1-4H3,(H,28,31)
InChIKeySSQLXUYAMWWKFG-UHFFFAOYSA-N
XLogP4.75
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344336
4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123471044
3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123882526
3-chloro-4-(2-cyano-3-ethylphenoxy)-N-(2,2,6,6-tetramethyloxan-4-yl)benzamide
CID 67679488
3-chloro-4-(2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678992
4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679263
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-(1-hydroxyethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679606
3-chloro-4-[2-(phenylcarbamoyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679341
3-chloro-4-[(4-cyano-5-pyridin-4-yl-3-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679152
3-chloro-4-(2-cyanophenoxy)-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 166211442

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide (CID 90655839) is 3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC(C)(C)N1CCO.
What is the InChIKey of 3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide?
The InChIKey is SSQLXUYAMWWKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c1-24(2)14-19(15-25(3,4)29(24)11-12-30)28-23(31)17-9-10-22(20(26)13-17)32-21-8-6-5-7-18(21)16-27/h5-10,13,19,30H,11-12,14-15H2,1-4H3,(H,28,31).
What are the key properties of 3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide?
3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide has a molecular weight of 455.99 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide is sourced from PubChem (CID 90655839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).