3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione

C22H14ClN3O4 — CID 110585829

IUPAC3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C(Nc2ccccc2)=C(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C22H14ClN3O4/c23-17-8-4-5-9-18(17)25-21(27)19(14-10-12-16(13-11-14)26(29)30)20(22(25)28)24-15-6-2-1-3-7-15/h1-13,24H
InChIKeyYAPIPUJQGMGDHL-UHFFFAOYSA-N
MW419.82 g/mol
LogP4.64
Rot. Bonds5

About 3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione

3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione (PubChem CID 110585829) has the molecular formula C22H14ClN3O4 and a molecular weight of 419.82 g/mol. Its IUPAC name is 3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
PubChem CID110585829
Molecular FormulaC22H14ClN3O4
Molecular Weight419.82 g/mol
Exact Mass419.07
IUPAC Name3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C(Nc2ccccc2)=C(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C22H14ClN3O4/c23-17-8-4-5-9-18(17)25-21(27)19(14-10-12-16(13-11-14)26(29)30)20(22(25)28)24-15-6-2-1-3-7-15/h1-13,24H
InChIKeyYAPIPUJQGMGDHL-UHFFFAOYSA-N
XLogP4.64
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.82
LogP ≤ 54.64
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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Related Compounds

3-(5-chloro-2-methylanilino)-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585822
3-(4-methoxyanilino)-1-(2-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585710
1-(2-methylphenyl)-3-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylanilino)pyrrole-2,5-dione
CID 110585754
1-(2-fluorophenyl)-3-(4-methoxyanilino)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585528
3-anilino-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110585459
1-(2-chlorophenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587573
3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599750
3-(3,5-dimethylanilino)-4-(4-nitrophenyl)-1-phenylpyrrole-2,5-dione
CID 110585627
1-(2-chlorophenyl)-3-phenyl-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 110596216
3-(4-ethoxyanilino)-1-(2-fluorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585532
3-anilino-4-(4-nitrophenyl)-1-propylpyrrole-2,5-dione
CID 110585136
1-(2-chlorophenyl)-3-[4-(diethylamino)anilino]-4-phenylpyrrole-2,5-dione
CID 110596218

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione (CID 110585829) is 3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione is O=C1C(Nc2ccccc2)=C(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1Cl.
What is the InChIKey of 3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is YAPIPUJQGMGDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O4/c23-17-8-4-5-9-18(17)25-21(27)19(14-10-12-16(13-11-14)26(29)30)20(22(25)28)24-15-6-2-1-3-7-15/h1-13,24H.
What are the key properties of 3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione?
3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 419.82 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110585829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).