(4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one

C18H19FN2O — CID 68614864

IUPAC(4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one
SMILESN[C@H]1CC(=O)N(c2ccc(CCc3cccc(F)c3)cc2)C1
InChIInChI=1S/C18H19FN2O/c19-15-3-1-2-14(10-15)5-4-13-6-8-17(9-7-13)21-12-16(20)11-18(21)22/h1-3,6-10,16H,4-5,11-12,20H2/t16-/m0/s1
InChIKeyAHRWPDBJYFPJQR-INIZCTEOSA-N
MW298.36 g/mol
LogP2.67
Rot. Bonds4

About (4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one

(4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one (PubChem CID 68614864) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is (4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one
PubChem CID68614864
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name(4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one
SMILESN[C@H]1CC(=O)N(c2ccc(CCc3cccc(F)c3)cc2)C1
InChIInChI=1S/C18H19FN2O/c19-15-3-1-2-14(10-15)5-4-13-6-8-17(9-7-13)21-12-16(20)11-18(21)22/h1-3,6-10,16H,4-5,11-12,20H2/t16-/m0/s1
InChIKeyAHRWPDBJYFPJQR-INIZCTEOSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 68614672
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 68614609
4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
CID 54792619
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-amino-1-[3-(2-phenylethoxy)phenyl]pyrrolidin-2-one
CID 54792612
4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
CID 168699360
4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one
CID 82495819
3-(3-fluorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 110737318
1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one
CID 122492399
2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 91215206

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one (CID 68614864) is (4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one is N[C@H]1CC(=O)N(c2ccc(CCc3cccc(F)c3)cc2)C1.
What is the InChIKey of (4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is AHRWPDBJYFPJQR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-15-3-1-2-14(10-15)5-4-13-6-8-17(9-7-13)21-12-16(20)11-18(21)22/h1-3,6-10,16H,4-5,11-12,20H2/t16-/m0/s1.
What are the key properties of (4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one?
(4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 298.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 68614864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).