3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione

C26H18Cl2N2O3 — CID 509112

IUPAC3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C26H18Cl2N2O3/c27-17-8-11-19(12-9-17)33-24-13-10-18(14-21(24)28)29-22-15-25(31)30(26(22)32)23-7-3-5-16-4-1-2-6-20(16)23/h1-14,22,29H,15H2
InChIKeyQOVTXRUJJXKTCT-UHFFFAOYSA-N
MW477.35 g/mol
LogP6.68
Rot. Bonds5

About 3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione

3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione (PubChem CID 509112) has the molecular formula C26H18Cl2N2O3 and a molecular weight of 477.35 g/mol. Its IUPAC name is 3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione
PubChem CID509112
Molecular FormulaC26H18Cl2N2O3
Molecular Weight477.35 g/mol
Exact Mass476.07
IUPAC Name3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C26H18Cl2N2O3/c27-17-8-11-19(12-9-17)33-24-13-10-18(14-21(24)28)29-22-15-25(31)30(26(22)32)23-7-3-5-16-4-1-2-6-20(16)23/h1-14,22,29H,15H2
InChIKeyQOVTXRUJJXKTCT-UHFFFAOYSA-N
XLogP6.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.35
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 98524929
(3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione
CID 98463384
(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 51860357
(3R)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235319
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
(3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 93235214
N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 2439910
(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860269
3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 139710361
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370
(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235147
(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 51860316

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione (CID 509112) is 3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione is O=C1CC(Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of 3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione?
The InChIKey is QOVTXRUJJXKTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N2O3/c27-17-8-11-19(12-9-17)33-24-13-10-18(14-21(24)28)29-22-15-25(31)30(26(22)32)23-7-3-5-16-4-1-2-6-20(16)23/h1-14,22,29H,15H2.
What are the key properties of 3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione?
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione has a molecular weight of 477.35 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 509112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).