1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione

C22H17ClNO2P — CID 141471660

IUPAC1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione
SMILESO=C1N(Cl)C(=O)C(c2ccccc2)(c2ccccc2)C1(P)c1ccccc1
InChIInChI=1S/C22H17ClNO2P/c23-24-19(25)21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)22(27,20(24)26)18-14-8-3-9-15-18/h1-15H,27H2
InChIKeyVFKSNBGXFCIOGN-UHFFFAOYSA-N
MW393.81 g/mol
LogP4.27
Rot. Bonds3

About 1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione

1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione (PubChem CID 141471660) has the molecular formula C22H17ClNO2P and a molecular weight of 393.81 g/mol. Its IUPAC name is 1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione
PubChem CID141471660
Molecular FormulaC22H17ClNO2P
Molecular Weight393.81 g/mol
Exact Mass393.07
IUPAC Name1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione
SMILESO=C1N(Cl)C(=O)C(c2ccccc2)(c2ccccc2)C1(P)c1ccccc1
InChIInChI=1S/C22H17ClNO2P/c23-24-19(25)21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)22(27,20(24)26)18-14-8-3-9-15-18/h1-15H,27H2
InChIKeyVFKSNBGXFCIOGN-UHFFFAOYSA-N
XLogP4.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one
CID 10833174
1-bromo-3-phenyl-3-phosphanylpyrrolidine-2,5-dione
CID 140973792
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3a,6a-diphenylpyrrolo[3,4-c]pyrrole-1,3,4,6-tetrone
CID 177144892
4,4-diphenylcyclopentane-1,2-dione
CID 15724710
[(3Z,4E)-3,4-bis(chloromethylidene)-1,2,2-triphenylcyclobutyl]benzene
CID 134933549
potassium;2-chloroisoindole-1,3-dione;hydride
CID 175533491
3,4-diiodo-5,5-diphenylfuran-2-one
CID 139257538
1,4-dibenzyl-6-ethyl-6-phenyl-1,4-diazepane-5,7-dione
CID 11971389
1-benzyl-5-phenyl-5-sulfanyl-1,3-diazinane-2,4,6-trione
CID 22149443
(3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one
CID 102253073
CID 102017823
CID 102017823
1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione
CID 89315616

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione?
The IUPAC name of 1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione (CID 141471660) is 1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione is O=C1N(Cl)C(=O)C(c2ccccc2)(c2ccccc2)C1(P)c1ccccc1.
What is the InChIKey of 1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione?
The InChIKey is VFKSNBGXFCIOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClNO2P/c23-24-19(25)21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)22(27,20(24)26)18-14-8-3-9-15-18/h1-15H,27H2.
What are the key properties of 1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione?
1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione has a molecular weight of 393.81 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione is sourced from PubChem (CID 141471660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).