(3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one

C18H19F2N2O2P — CID 139450980

IUPAC(3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one
SMILESCP(C)(=O)c1ccccc1-c1ccc(N2CC[C@@H](N)C2=O)c(F)c1F
InChIInChI=1S/C18H19F2N2O2P/c1-25(2,24)15-6-4-3-5-11(15)12-7-8-14(17(20)16(12)19)22-10-9-13(21)18(22)23/h3-8,13H,9-10,21H2,1-2H3/t13-/m1/s1
InChIKeyWVCDQBJEGWPDRF-CYBMUJFWSA-N
MW364.33 g/mol
LogP2.94
Rot. Bonds3

About (3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one

(3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one (PubChem CID 139450980) has the molecular formula C18H19F2N2O2P and a molecular weight of 364.33 g/mol. Its IUPAC name is (3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one
PubChem CID139450980
Molecular FormulaC18H19F2N2O2P
Molecular Weight364.33 g/mol
Exact Mass364.12
IUPAC Name(3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one
SMILESCP(C)(=O)c1ccccc1-c1ccc(N2CC[C@@H](N)C2=O)c(F)c1F
InChIInChI=1S/C18H19F2N2O2P/c1-25(2,24)15-6-4-3-5-11(15)12-7-8-14(17(20)16(12)19)22-10-9-13(21)18(22)23/h3-8,13H,9-10,21H2,1-2H3/t13-/m1/s1
InChIKeyWVCDQBJEGWPDRF-CYBMUJFWSA-N
XLogP2.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10676431, Example 25
CID 139450967
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Prolinamide
CID 445368
US10676431, Example 70
CID 139454921
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
Phenylalanine derived inhibitor, 10
CID 23647700
Phenylalanine derived inhibitor, 11
CID 23647702
(1S,2S)-1-(dimethylcarbamoyl)-1-(4-acetamidophenyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium
CID 23647704
(2S,3S)-3-(4-acetamidophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium
CID 23647706
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-[4-(N-methylacetamido)phenyl]-3-oxopropan-2-aminium
CID 23647708
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(N-methylacetamido)phenyl]-1-oxobutan-2-aminium
CID 23647710
(2S,3S)-3-{4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridin-3-yl]phenyl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895733
1-(4-Methylphenyl)-3-[(4-methylphenyl)amino]-2,5-pyrrolidinedione
CID 2927700

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one (CID 139450980) is (3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one is CP(C)(=O)c1ccccc1-c1ccc(N2CC[C@@H](N)C2=O)c(F)c1F.
What is the InChIKey of (3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one?
The InChIKey is WVCDQBJEGWPDRF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19F2N2O2P/c1-25(2,24)15-6-4-3-5-11(15)12-7-8-14(17(20)16(12)19)22-10-9-13(21)18(22)23/h3-8,13H,9-10,21H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one?
(3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one has a molecular weight of 364.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one is sourced from PubChem (CID 139450980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).