1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione

C24H21N4O5P — CID 134262870

IUPAC1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(P2(=O)N(c3ccccc3)CCN2c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H21N4O5P/c29-23-17-22(24(30)27(23)20-11-13-21(14-12-20)28(31)32)34(33)25(18-7-3-1-4-8-18)15-16-26(34)19-9-5-2-6-10-19/h1-14,22H,15-17H2
InChIKeyFQTYQEIFPMRQKI-UHFFFAOYSA-N
MW476.43 g/mol
LogP4.45
Rot. Bonds5

About 1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione

1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione (PubChem CID 134262870) has the molecular formula C24H21N4O5P and a molecular weight of 476.43 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione
PubChem CID134262870
Molecular FormulaC24H21N4O5P
Molecular Weight476.43 g/mol
Exact Mass476.12
IUPAC Name1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(P2(=O)N(c3ccccc3)CCN2c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H21N4O5P/c29-23-17-22(24(30)27(23)20-11-13-21(14-12-20)28(31)32)34(33)25(18-7-3-1-4-8-18)15-16-26(34)19-9-5-2-6-10-19/h1-14,22H,15-17H2
InChIKeyFQTYQEIFPMRQKI-UHFFFAOYSA-N
XLogP4.45
TPSA104.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione
CID 134274767
1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione
CID 134262838
3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione
CID 134272265
(3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7394441
1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865818
3-(4-nitroanilino)-1-phenylpyrrolidine-2,5-dione
CID 19163761
3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 3749980
3-[1,3-bis(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]-1-phenylpyrrolidine-2,5-dione;1-cyclohexyl-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione;3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]-1-phenylpyrrolidine-2,5-dione;tetrakis(1-(4-methylphenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione);3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-1-phenylpyrrolidine-2,5-dione
CID 161349368
(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7279287
1-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphinan-2-yl)pyrrolidine-2,5-dione
CID 134272260
(3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 7310610
(3S)-3-(diethylamino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7065781

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione (CID 134262870) is 1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione is O=C1CC(P2(=O)N(c3ccccc3)CCN2c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione?
The InChIKey is FQTYQEIFPMRQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N4O5P/c29-23-17-22(24(30)27(23)20-11-13-21(14-12-20)28(31)32)34(33)25(18-7-3-1-4-8-18)15-16-26(34)19-9-5-2-6-10-19/h1-14,22H,15-17H2.
What are the key properties of 1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione?
1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione has a molecular weight of 476.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 134262870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).