(3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione

C22H16ClFN2O3 — CID 171845963

IUPAC(3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione
SMILESO=C1CC[C@H](c2cccc(-c3ccc(-n4ccc(F)cc4=O)cc3)c2Cl)C(=O)N1
InChIInChI=1S/C22H16ClFN2O3/c23-21-16(2-1-3-17(21)18-8-9-19(27)25-22(18)29)13-4-6-15(7-5-13)26-11-10-14(24)12-20(26)28/h1-7,10-12,18H,8-9H2,(H,25,27,29)/t18-/m1/s1
InChIKeyBCHXHHIKRYDGSV-GOSISDBHSA-N
MW410.83 g/mol
LogP3.82
Rot. Bonds3

About (3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione

(3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione (PubChem CID 171845963) has the molecular formula C22H16ClFN2O3 and a molecular weight of 410.83 g/mol. Its IUPAC name is (3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione
PubChem CID171845963
Molecular FormulaC22H16ClFN2O3
Molecular Weight410.83 g/mol
Exact Mass410.08
IUPAC Name(3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione
SMILESO=C1CC[C@H](c2cccc(-c3ccc(-n4ccc(F)cc4=O)cc3)c2Cl)C(=O)N1
InChIInChI=1S/C22H16ClFN2O3/c23-21-16(2-1-3-17(21)18-8-9-19(27)25-22(18)29)13-4-6-15(7-5-13)26-11-10-14(24)12-20(26)28/h1-7,10-12,18H,8-9H2,(H,25,27,29)/t18-/m1/s1
InChIKeyBCHXHHIKRYDGSV-GOSISDBHSA-N
XLogP3.82
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846551
3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846212
3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione
CID 171846480
3-[2-chloro-3-[4-[3-oxo-5-(trifluoromethyl)morpholin-4-yl]phenyl]phenyl]piperidine-2,6-dione
CID 171846600
(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171845993
3-[2-chloro-3-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846438
3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846191
3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846090
3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione
CID 171846214
3-[2-chloro-3-[4-[(3-methyloxetan-3-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846725
N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N-[(1E)-1-fluorobuta-1,3-dienyl]acetamide
CID 171846545

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione (CID 171845963) is (3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione is O=C1CC[C@H](c2cccc(-c3ccc(-n4ccc(F)cc4=O)cc3)c2Cl)C(=O)N1.
What is the InChIKey of (3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione?
The InChIKey is BCHXHHIKRYDGSV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H16ClFN2O3/c23-21-16(2-1-3-17(21)18-8-9-19(27)25-22(18)29)13-4-6-15(7-5-13)26-11-10-14(24)12-20(26)28/h1-7,10-12,18H,8-9H2,(H,25,27,29)/t18-/m1/s1.
What are the key properties of (3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione?
(3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione has a molecular weight of 410.83 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171845963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).