N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide

C19H21FN2O2P2 — CID 166883464

IUPACN-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide
SMILESCP(C)c1ccccc1-c1ccc(N2CCC(NC=O)C2=O)c(F)c1P
InChIInChI=1S/C19H21FN2O2P2/c1-26(2)16-6-4-3-5-12(16)13-7-8-15(17(20)18(13)25)22-10-9-14(19(22)24)21-11-23/h3-8,11,14H,9-10,25H2,1-2H3,(H,21,23)
InChIKeyCQYVAFFJJGYPPG-UHFFFAOYSA-N
MW390.34 g/mol
LogP2.21
Rot. Bonds5

About N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide

N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide (PubChem CID 166883464) has the molecular formula C19H21FN2O2P2 and a molecular weight of 390.34 g/mol. Its IUPAC name is N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide
PubChem CID166883464
Molecular FormulaC19H21FN2O2P2
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC NameN-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide
SMILESCP(C)c1ccccc1-c1ccc(N2CCC(NC=O)C2=O)c(F)c1P
InChIInChI=1S/C19H21FN2O2P2/c1-26(2)16-6-4-3-5-12(16)13-7-8-15(17(20)18(13)25)22-10-9-14(19(22)24)21-11-23/h3-8,11,14H,9-10,25H2,1-2H3,(H,21,23)
InChIKeyCQYVAFFJJGYPPG-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide?
The IUPAC name of N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide (CID 166883464) is N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide.
What is the SMILES notation for N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide?
The canonical SMILES for N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide is CP(C)c1ccccc1-c1ccc(N2CCC(NC=O)C2=O)c(F)c1P.
What is the InChIKey of N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide?
The InChIKey is CQYVAFFJJGYPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2P2/c1-26(2)16-6-4-3-5-12(16)13-7-8-15(17(20)18(13)25)22-10-9-14(19(22)24)21-11-23/h3-8,11,14H,9-10,25H2,1-2H3,(H,21,23).
What are the key properties of N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide?
N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide has a molecular weight of 390.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide is sourced from PubChem (CID 166883464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).