(2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide

C22H23FN2O4 — CID 46177432

IUPAC(2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide
SMILESCC[C@]1(c2ccc(NC(=O)[C@H](F)c3ccc(OC)cc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C22H23FN2O4/c1-3-22(13-12-18(26)25-21(22)28)15-6-8-16(9-7-15)24-20(27)19(23)14-4-10-17(29-2)11-5-14/h4-11,19H,3,12-13H2,1-2H3,(H,24,27)(H,25,26,28)/t19-,22-/m1/s1
InChIKeyDPPZXNZKDWEXID-DENIHFKCSA-N
MW398.43 g/mol
LogP3.43
Rot. Bonds6

About (2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide

(2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide (PubChem CID 46177432) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is (2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide
PubChem CID46177432
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name(2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide
SMILESCC[C@]1(c2ccc(NC(=O)[C@H](F)c3ccc(OC)cc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C22H23FN2O4/c1-3-22(13-12-18(26)25-21(22)28)15-6-8-16(9-7-15)24-20(27)19(23)14-4-10-17(29-2)11-5-14/h4-11,19H,3,12-13H2,1-2H3,(H,24,27)(H,25,26,28)/t19-,22-/m1/s1
InChIKeyDPPZXNZKDWEXID-DENIHFKCSA-N
XLogP3.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.43
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 (2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide?
The IUPAC name of (2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide (CID 46177432) is (2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for (2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for (2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide is CC[C@]1(c2ccc(NC(=O)[C@H](F)c3ccc(OC)cc3)cc2)CCC(=O)NC1=O.
What is the InChIKey of (2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide?
The InChIKey is DPPZXNZKDWEXID-DENIHFKCSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-3-22(13-12-18(26)25-21(22)28)15-6-8-16(9-7-15)24-20(27)19(23)14-4-10-17(29-2)11-5-14/h4-11,19H,3,12-13H2,1-2H3,(H,24,27)(H,25,26,28)/t19-,22-/m1/s1.
What are the key properties of (2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide?
(2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide has a molecular weight of 398.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 46177432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).