N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide

C22H21Cl2FN2O4 — CID 165166290

IUPACN-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide
SMILESCC(C)c1cc(F)cc(Oc2c(Cl)cc(NC(=O)CC3CC(=O)NC(=O)C3)cc2Cl)c1
InChIInChI=1S/C22H21Cl2FN2O4/c1-11(2)13-6-14(25)8-16(7-13)31-22-17(23)9-15(10-18(22)24)26-19(28)3-12-4-20(29)27-21(30)5-12/h6-12H,3-5H2,1-2H3,(H,26,28)(H,27,29,30)
InChIKeyFJWSZQGJPXJRTH-UHFFFAOYSA-N
MW467.32 g/mol
LogP5.43
Rot. Bonds6

About N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide

N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide (PubChem CID 165166290) has the molecular formula C22H21Cl2FN2O4 and a molecular weight of 467.32 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide
PubChem CID165166290
Molecular FormulaC22H21Cl2FN2O4
Molecular Weight467.32 g/mol
Exact Mass466.09
IUPAC NameN-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide
SMILESCC(C)c1cc(F)cc(Oc2c(Cl)cc(NC(=O)CC3CC(=O)NC(=O)C3)cc2Cl)c1
InChIInChI=1S/C22H21Cl2FN2O4/c1-11(2)13-6-14(25)8-16(7-13)31-22-17(23)9-15(10-18(22)24)26-19(28)3-12-4-20(29)27-21(30)5-12/h6-12H,3-5H2,1-2H3,(H,26,28)(H,27,29,30)
InChIKeyFJWSZQGJPXJRTH-UHFFFAOYSA-N
XLogP5.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.32
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide?
The IUPAC name of N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide (CID 165166290) is N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide.
What is the SMILES notation for N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide?
The canonical SMILES for N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide is CC(C)c1cc(F)cc(Oc2c(Cl)cc(NC(=O)CC3CC(=O)NC(=O)C3)cc2Cl)c1.
What is the InChIKey of N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide?
The InChIKey is FJWSZQGJPXJRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2FN2O4/c1-11(2)13-6-14(25)8-16(7-13)31-22-17(23)9-15(10-18(22)24)26-19(28)3-12-4-20(29)27-21(30)5-12/h6-12H,3-5H2,1-2H3,(H,26,28)(H,27,29,30).
What are the key properties of N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide?
N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide has a molecular weight of 467.32 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide is sourced from PubChem (CID 165166290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).