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

C16H10ClN3O5 — CID 6539479

IUPAC3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cccc([N+](=O)[O-])c2)=C1Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C16H10ClN3O5/c17-11-7-9(4-5-12(11)21)18-14-13(15(22)19-16(14)23)8-2-1-3-10(6-8)20(24)25/h1-7,21H,(H2,18,19,22,23)
InChIKeySWAZORFPVNPJJA-UHFFFAOYSA-N
MW359.73 g/mol
LogP2.43
Rot. Bonds4

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

3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione (PubChem CID 6539479) has the molecular formula C16H10ClN3O5 and a molecular weight of 359.73 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione
PubChem CID6539479
Molecular FormulaC16H10ClN3O5
Molecular Weight359.73 g/mol
Exact Mass359.03
IUPAC Name3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cccc([N+](=O)[O-])c2)=C1Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C16H10ClN3O5/c17-11-7-9(4-5-12(11)21)18-14-13(15(22)19-16(14)23)8-2-1-3-10(6-8)20(24)25/h1-7,21H,(H2,18,19,22,23)
InChIKeySWAZORFPVNPJJA-UHFFFAOYSA-N
XLogP2.43
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.73
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

SB 415286
CID 4210951
3-[(3-Chloro-4-Hydroxyphenyl)amino]-4-(3-Chlorophenyl)-1h-Pyrrole-2,5-Dione
CID 6539478
Salicylanilide, 3'-chloro-5-nitro-
CID 81001
3-[(3-hydroxyphenyl)amino]-4-(3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539471
3-[(4-hydroxyphenyl)amino]-4-(3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539474
3-(4-chlorophenyl)-4-[(4-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539475
3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539476
3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539477
3-[(3-chloro-4-hydroxyphenyl)amino]-4-(4-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539480
3-[(3,5-dichloro-4-hydroxyphenyl)amino]-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539481
3-(2-chlorophenyl)-4-[(3,5-dichloro-4-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539482
3-[(3,5-dichloro-4-hydroxyphenyl)amino]-4-(2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539484

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione (CID 6539479) is 3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione is O=C1NC(=O)C(c2cccc([N+](=O)[O-])c2)=C1Nc1ccc(O)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is SWAZORFPVNPJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O5/c17-11-7-9(4-5-12(11)21)18-14-13(15(22)19-16(14)23)8-2-1-3-10(6-8)20(24)25/h1-7,21H,(H2,18,19,22,23).
What are the key properties of 3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione?
3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 359.73 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxyanilino)-4-(3-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 6539479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).