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

C16H10ClN3O4 — CID 101041424

IUPAC3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Nc2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H10ClN3O4/c17-13-14(18-10-4-2-1-3-5-10)16(22)19(15(13)21)11-6-8-12(9-7-11)20(23)24/h1-9,18H
InChIKeyOXNRHWUIPWDLBA-UHFFFAOYSA-N
MW343.73 g/mol
LogP3.03
Rot. Bonds4

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

3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione (PubChem CID 101041424) has the molecular formula C16H10ClN3O4 and a molecular weight of 343.73 g/mol. Its IUPAC name is 3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione
PubChem CID101041424
Molecular FormulaC16H10ClN3O4
Molecular Weight343.73 g/mol
Exact Mass343.04
IUPAC Name3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Nc2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H10ClN3O4/c17-13-14(18-10-4-2-1-3-5-10)16(22)19(15(13)21)11-6-8-12(9-7-11)20(23)24/h1-9,18H
InChIKeyOXNRHWUIPWDLBA-UHFFFAOYSA-N
XLogP3.03
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 53.03
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-chloro-4-(3-methylanilino)-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 101041433
3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 7109767
3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585829
3-(3,5-dimethylanilino)-4-(4-nitrophenyl)-1-phenylpyrrole-2,5-dione
CID 110585627
3-bromo-4-(4-methoxyanilino)-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 53255179
1-(4-bromophenyl)-3-chloro-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110580735
3-(4-fluoroanilino)-1-(4-methylphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585685
3-anilino-4-chloro-1-methylpyrrole-2,5-dione
CID 12553293
6-chloro-2-N-(4-nitrophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 4187713
1-(3-chlorophenyl)-3-(3-fluoroanilino)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585646
3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 710533
2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione (CID 101041424) is 3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione is O=C1C(Cl)=C(Nc2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is OXNRHWUIPWDLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O4/c17-13-14(18-10-4-2-1-3-5-10)16(22)19(15(13)21)11-6-8-12(9-7-11)20(23)24/h1-9,18H.
What are the key properties of 3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione?
3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 343.73 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 101041424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).