2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide

C22H23ClN2O2 — CID 154629182

IUPAC2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide
SMILESCC1(C)C(Oc2ccc(C#N)c(Cl)c2)C(C)(C)C1c1ccccc1C(N)=O
InChIInChI=1S/C22H23ClN2O2/c1-21(2)18(15-7-5-6-8-16(15)19(25)26)22(3,4)20(21)27-14-10-9-13(12-24)17(23)11-14/h5-11,18,20H,1-4H3,(H2,25,26)
InChIKeyOXLULJQXGYWPPL-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.91
Rot. Bonds4

About 2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide

2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide (PubChem CID 154629182) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide.

Molecular Properties

Compound Name2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide
PubChem CID154629182
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide
SMILESCC1(C)C(Oc2ccc(C#N)c(Cl)c2)C(C)(C)C1c1ccccc1C(N)=O
InChIInChI=1S/C22H23ClN2O2/c1-21(2)18(15-7-5-6-8-16(15)19(25)26)22(3,4)20(21)27-14-10-9-13(12-24)17(23)11-14/h5-11,18,20H,1-4H3,(H2,25,26)
InChIKeyOXLULJQXGYWPPL-UHFFFAOYSA-N
XLogP4.91
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(piperidin-4-ylmethyl)triazol-1-yl]benzamide
CID 162688868
2-chloro-4-(3-iodo-2,2,4,4-tetramethylcyclobutyl)oxybenzonitrile
CID 163531856
2-chloropyrimidine-5-carboxamide;2-chloro-4-(2,2,4,4-tetramethylcyclobutyl)oxybenzonitrile
CID 176982931
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-methylpyridazine-3-carboxamide
CID 148941070
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 56648414
4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2-chlorobenzonitrile;4-methylbenzenesulfonyl chloride
CID 126511606
4-[3-[(4-aminopiperidin-1-yl)amino]-2,2,4,4-tetramethylcyclobutyl]oxy-2-chlorobenzonitrile
CID 163853273
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-N-(deuteriomethyl)-4-iodobenzamide
CID 155671665
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-methylpyridine-3-carboxamide;ethane
CID 142409450
2-chloro-4-[2,2,4,4-tetramethyl-3-[[4-(2-methylpropanoyl)cyclohexyl]amino]cyclobutyl]oxybenzonitrile
CID 176845596
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-propan-2-yloxyphenyl)benzamide
CID 118881635
[3-(4-cyano-3-iodophenoxy)-2,2,4,4-tetramethylcyclobutyl] carbamate
CID 175199579

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide?
The IUPAC name of 2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide (CID 154629182) is 2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide.
What is the SMILES notation for 2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide?
The canonical SMILES for 2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide is CC1(C)C(Oc2ccc(C#N)c(Cl)c2)C(C)(C)C1c1ccccc1C(N)=O.
What is the InChIKey of 2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide?
The InChIKey is OXLULJQXGYWPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-21(2)18(15-7-5-6-8-16(15)19(25)26)22(3,4)20(21)27-14-10-9-13(12-24)17(23)11-14/h5-11,18,20H,1-4H3,(H2,25,26).
What are the key properties of 2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide?
2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide has a molecular weight of 382.89 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide is sourced from PubChem (CID 154629182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).