1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione

C20H18Cl2N4O4 — CID 159530815

IUPAC1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
SMILESNc1cc(Cl)c(N2C(=O)CCC2=O)c(Cl)c1.Nc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C10H8Cl2N2O2.C10H10N2O2/c11-6-3-5(13)4-7(12)10(6)14-8(15)1-2-9(14)16;11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h3-4H,1-2,13H2;1-4H,5-6,11H2
InChIKeyMCYVTZMDIYJKTP-UHFFFAOYSA-N
MW449.29 g/mol
LogP3.15
Rot. Bonds2

About 1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione

1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione (PubChem CID 159530815) has the molecular formula C20H18Cl2N4O4 and a molecular weight of 449.29 g/mol. Its IUPAC name is 1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
PubChem CID159530815
Molecular FormulaC20H18Cl2N4O4
Molecular Weight449.29 g/mol
Exact Mass448.07
IUPAC Name1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
SMILESNc1cc(Cl)c(N2C(=O)CCC2=O)c(Cl)c1.Nc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C10H8Cl2N2O2.C10H10N2O2/c11-6-3-5(13)4-7(12)10(6)14-8(15)1-2-9(14)16;11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h3-4H,1-2,13H2;1-4H,5-6,11H2
InChIKeyMCYVTZMDIYJKTP-UHFFFAOYSA-N
XLogP3.15
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
1-(3,5-diaminophenyl)pyrrolidine-2,5-dione
CID 69179258
5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione
CID 139787354
1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
CID 157053560
3-(4-aminophenyl)-1,3-diazinane-2,4-dione
CID 60796205
2-(4-aminophenyl)-4,7-dichloroisoindole-1,3-dione
CID 154274097
2-chloro-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid
CID 792345
1-(4-sulfanylphenyl)pyrrolidine-2,5-dione
CID 132842992
1-(2,6-dichlorophenyl)piperidine-2,6-dione
CID 10879750
2-chloro-4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 6944276
1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione
CID 86007411
6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one
CID 117041603

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione (CID 159530815) is 1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione is Nc1cc(Cl)c(N2C(=O)CCC2=O)c(Cl)c1.Nc1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione?
The InChIKey is MCYVTZMDIYJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2.C10H10N2O2/c11-6-3-5(13)4-7(12)10(6)14-8(15)1-2-9(14)16;11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h3-4H,1-2,13H2;1-4H,5-6,11H2.
What are the key properties of 1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione?
1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione has a molecular weight of 449.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 159530815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).