1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione

C17H14ClN3O4 — CID 4023725

IUPAC1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione
SMILESCc1ccc([N+](=O)[O-])cc1NC1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H14ClN3O4/c1-10-5-6-13(21(24)25)8-14(10)19-15-9-16(22)20(17(15)23)12-4-2-3-11(18)7-12/h2-8,15,19H,9H2,1H3
InChIKeyKZTZMBICAZKJOF-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.30
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione (PubChem CID 4023725) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione
PubChem CID4023725
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione
SMILESCc1ccc([N+](=O)[O-])cc1NC1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C17H14ClN3O4/c1-10-5-6-13(21(24)25)8-14(10)19-15-9-16(22)20(17(15)23)12-4-2-3-11(18)7-12/h2-8,15,19H,9H2,1H3
InChIKeyKZTZMBICAZKJOF-UHFFFAOYSA-N
XLogP3.30
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
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': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione (CID 4023725) is 1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione is Cc1ccc([N+](=O)[O-])cc1NC1CC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione?
The InChIKey is KZTZMBICAZKJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-10-5-6-13(21(24)25)8-14(10)19-15-9-16(22)20(17(15)23)12-4-2-3-11(18)7-12/h2-8,15,19H,9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione has a molecular weight of 359.77 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-methyl-5-nitroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 4023725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).