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

C19H19ClFNO2 — CID 147658029

IUPAC(3S)-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-/m0/s1
InChIKeyGKUGROGDSXJQPC-IBGZPJMESA-N
MW347.82 g/mol
LogP3.97
Rot. Bonds5

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

(3S)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one (PubChem CID 147658029) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is (3S)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one
PubChem CID147658029
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name(3S)-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-/m0/s1
InChIKeyGKUGROGDSXJQPC-IBGZPJMESA-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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Related Compounds

(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide
CID 89893711
(3S)-N-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56959669
(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 89893669
(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-1-(3-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 89893722
(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 89893732
N-[(3-chloro-5-fluorophenyl)methyl]-1-[4-(difluoromethyl)phenyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 130304860
1-Benzyl-5-chloro-3-hydroxy-3-(trifluoromethyl)indolin-2-one
CID 129843656
(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
CID 139255413
(3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one
CID 139255424
(3R)-1-benzyl-5-chloro-3-(4-fluorophenyl)-3-hydroxyindol-2-one
CID 139255426
(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one
CID 139255432
(3R)-5-chloro-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 139255433

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one (CID 147658029) is (3S)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-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 (3S)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one?
The InChIKey is GKUGROGDSXJQPC-IBGZPJMESA-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-/m0/s1.
What are the key properties of (3S)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one?
(3S)-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 (3S)-3-[3-(3-chloro-5-fluorophenyl)propyl]-3-hydroxy-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 147658029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).