(3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one

C19H19ClFNO2 — CID 147658030

IUPAC(3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one
SMILESO=C1N(c2ccccc2)CC[C@]1(O)CCCc1cc(F)cc(Cl)c1
InChIInChI=1S/C19H19ClFNO2/c20-15-11-14(12-16(21)13-15)5-4-8-19(24)9-10-22(18(19)23)17-6-2-1-3-7-17/h1-3,6-7,11-13,24H,4-5,8-10H2/t19-/m1/s1
InChIKeyGKUGROGDSXJQPC-LJQANCHMSA-N
MW347.82 g/mol
LogP3.97
Rot. Bonds5

About (3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one

(3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one (PubChem CID 147658030) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is (3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one
PubChem CID147658030
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name(3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one
SMILESO=C1N(c2ccccc2)CC[C@]1(O)CCCc1cc(F)cc(Cl)c1
InChIInChI=1S/C19H19ClFNO2/c20-15-11-14(12-16(21)13-15)5-4-8-19(24)9-10-22(18(19)23)17-6-2-1-3-7-17/h1-3,6-7,11-13,24H,4-5,8-10H2/t19-/m1/s1
InChIKeyGKUGROGDSXJQPC-LJQANCHMSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one (CID 147658030) is (3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one is O=C1N(c2ccccc2)CC[C@]1(O)CCCc1cc(F)cc(Cl)c1.
What is the InChIKey of (3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one?
The InChIKey is GKUGROGDSXJQPC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c20-15-11-14(12-16(21)13-15)5-4-8-19(24)9-10-22(18(19)23)17-6-2-1-3-7-17/h1-3,6-7,11-13,24H,4-5,8-10H2/t19-/m1/s1.
What are the key properties of (3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one?
(3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one has a molecular weight of 347.82 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 147658030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).