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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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).