cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide

C20H23Cl2CsN2O2 — CID 144772765

IUPACcesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide
SMILESCC(C)(C)C(C[NH-])OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Cs+]
InChIInChI=1S/C20H23Cl2N2O2.Cs/c1-20(2,3)17(12-23)26-18(25)11-13-7-4-5-10-16(13)24-19-14(21)8-6-9-15(19)22;/h4-10,17,23-24H,11-12H2,1-3H3;/q-1;+1
InChIKeyDBSOXHIXMXKWMW-UHFFFAOYSA-N
MW527.23 g/mol
LogP3.29
Rot. Bonds6

About cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide

cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide (PubChem CID 144772765) has the molecular formula C20H23Cl2CsN2O2 and a molecular weight of 527.23 g/mol. Its IUPAC name is cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide.

Molecular Properties

Compound Namecesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide
PubChem CID144772765
Molecular FormulaC20H23Cl2CsN2O2
Molecular Weight527.23 g/mol
Exact Mass526.02
IUPAC Namecesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide
SMILESCC(C)(C)C(C[NH-])OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Cs+]
InChIInChI=1S/C20H23Cl2N2O2.Cs/c1-20(2,3)17(12-23)26-18(25)11-13-7-4-5-10-16(13)24-19-14(21)8-6-9-15(19)22;/h4-10,17,23-24H,11-12H2,1-3H3;/q-1;+1
InChIKeyDBSOXHIXMXKWMW-UHFFFAOYSA-N
XLogP3.29
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 90057801
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
CID 158403524
CID 158403524
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054
(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 157152797
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;6-(dimethylamino)-4,4-diphenylheptan-3-one
CID 11628651
2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 159842705

Frequently Asked Questions

What is the IUPAC name of cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide?
The IUPAC name of cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide (CID 144772765) is cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide.
What is the SMILES notation for cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide?
The canonical SMILES for cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide is CC(C)(C)C(C[NH-])OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Cs+].
What is the InChIKey of cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide?
The InChIKey is DBSOXHIXMXKWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N2O2.Cs/c1-20(2,3)17(12-23)26-18(25)11-13-7-4-5-10-16(13)24-19-14(21)8-6-9-15(19)22;/h4-10,17,23-24H,11-12H2,1-3H3;/q-1;+1.
What are the key properties of cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide?
cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide has a molecular weight of 527.23 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide is sourced from PubChem (CID 144772765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).