4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide

C19H17BrClN3O2 — CID 67679393

IUPAC4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide
SMILESN#Cc1c(Br)cccc1Oc1ccc(C(=O)NC2CCNCC2)cc1Cl
InChIInChI=1S/C19H17BrClN3O2/c20-15-2-1-3-17(14(15)11-22)26-18-5-4-12(10-16(18)21)19(25)24-13-6-8-23-9-7-13/h1-5,10,13,23H,6-9H2,(H,24,25)
InChIKeyYOKHURCGAHOKFU-UHFFFAOYSA-N
MW434.72 g/mol
LogP4.25
Rot. Bonds4

About 4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide

4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide (PubChem CID 67679393) has the molecular formula C19H17BrClN3O2 and a molecular weight of 434.72 g/mol. Its IUPAC name is 4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide
PubChem CID67679393
Molecular FormulaC19H17BrClN3O2
Molecular Weight434.72 g/mol
Exact Mass433.02
IUPAC Name4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide
SMILESN#Cc1c(Br)cccc1Oc1ccc(C(=O)NC2CCNCC2)cc1Cl
InChIInChI=1S/C19H17BrClN3O2/c20-15-2-1-3-17(14(15)11-22)26-18-5-4-12(10-16(18)21)19(25)24-13-6-8-23-9-7-13/h1-5,10,13,23H,6-9H2,(H,24,25)
InChIKeyYOKHURCGAHOKFU-UHFFFAOYSA-N
XLogP4.25
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.72
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(2-cyano-3-ethylphenoxy)-N-(2,2,6,6-tetramethyloxan-4-yl)benzamide
CID 67679488
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-cyano-3-(2-piperazin-1-ylpyrimidin-5-yl)phenoxy]-N-(2,2,6,6-tetramethyloxan-4-yl)benzamide
CID 67679497
3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344336
2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile
CID 114881579
4-[3-(5-amino-3-pyridinyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678986
3-bromo-N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67803204
3-chloro-4-[2-cyano-3-(2-methoxy-4-pyridinyl)phenoxy]-N-(2,2,6,6-tetramethyloxan-4-yl)benzamide
CID 123918769
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
3-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679333
4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389286
3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide
CID 90655839

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide (CID 67679393) is 4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide is N#Cc1c(Br)cccc1Oc1ccc(C(=O)NC2CCNCC2)cc1Cl.
What is the InChIKey of 4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide?
The InChIKey is YOKHURCGAHOKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3O2/c20-15-2-1-3-17(14(15)11-22)26-18-5-4-12(10-16(18)21)19(25)24-13-6-8-23-9-7-13/h1-5,10,13,23H,6-9H2,(H,24,25).
What are the key properties of 4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide?
4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide has a molecular weight of 434.72 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 67679393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).