N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide

C19H19F2N2O3P — CID 166883357

IUPACN-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide
SMILESCP(C)(=O)c1ccccc1-c1ccc(N2CCC(NC=O)C2=O)c(F)c1F
InChIInChI=1S/C19H19F2N2O3P/c1-27(2,26)16-6-4-3-5-12(16)13-7-8-15(18(21)17(13)20)23-10-9-14(19(23)25)22-11-24/h3-8,11,14H,9-10H2,1-2H3,(H,22,24)
InChIKeyQLNVKGYPZHBIIR-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.73
Rot. Bonds5

About N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide

N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide (PubChem CID 166883357) has the molecular formula C19H19F2N2O3P and a molecular weight of 392.34 g/mol. Its IUPAC name is N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide
PubChem CID166883357
Molecular FormulaC19H19F2N2O3P
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC NameN-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide
SMILESCP(C)(=O)c1ccccc1-c1ccc(N2CCC(NC=O)C2=O)c(F)c1F
InChIInChI=1S/C19H19F2N2O3P/c1-27(2,26)16-6-4-3-5-12(16)13-7-8-15(18(21)17(13)20)23-10-9-14(19(23)25)22-11-24/h3-8,11,14H,9-10H2,1-2H3,(H,22,24)
InChIKeyQLNVKGYPZHBIIR-UHFFFAOYSA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one
CID 139450980
N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide
CID 167020175
N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide
CID 166883397
N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide
CID 166883464
[1-[4-(2-dimethylphosphorylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 139451019
1-[4-(2-dimethylphosphoryl-3-pyridinyl)-2,3-difluorophenyl]-3-(methylamino)pyrrolidin-2-one
CID 166883510
1-[(3R)-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]-3-[2-fluoro-4-(trifluoromethoxy)phenyl]urea
CID 139454863
1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-dimethylphosphorylphenyl)-2-fluoro-3-methylphenyl]-2-oxopyrrolidin-3-yl]urea
CID 147229229
3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-5-methylpyrrolidin-2-one
CID 139451005
1-[1-[3-cyclopropyl-4-(2-dimethylphosphorylphenyl)-2-fluorophenyl]-2-oxopyrrolidin-3-yl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]urea
CID 139451007
N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide
CID 166883400
N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide
CID 139474435

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide?
The IUPAC name of N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide (CID 166883357) is N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide.
What is the SMILES notation for N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide?
The canonical SMILES for N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide is CP(C)(=O)c1ccccc1-c1ccc(N2CCC(NC=O)C2=O)c(F)c1F.
What is the InChIKey of N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide?
The InChIKey is QLNVKGYPZHBIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N2O3P/c1-27(2,26)16-6-4-3-5-12(16)13-7-8-15(18(21)17(13)20)23-10-9-14(19(23)25)22-11-24/h3-8,11,14H,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide?
N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide has a molecular weight of 392.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide is sourced from PubChem (CID 166883357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).