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

C17H13ClN2O4 — CID 6539477

IUPAC3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2ccc(O)c(Cl)c2)C(=O)NC1=O
InChIInChI=1S/C17H13ClN2O4/c1-24-13-5-3-2-4-10(13)14-15(17(23)20-16(14)22)19-9-6-7-12(21)11(18)8-9/h2-8,21H,1H3,(H2,19,20,22,23)
InChIKeyIDPHPRPMCOPJNX-UHFFFAOYSA-N
MW344.75 g/mol
LogP2.53
Rot. Bonds4

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

3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 6539477) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID6539477
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Nc2ccc(O)c(Cl)c2)C(=O)NC1=O
InChIInChI=1S/C17H13ClN2O4/c1-24-13-5-3-2-4-10(13)14-15(17(23)20-16(14)22)19-9-6-7-12(21)11(18)8-9/h2-8,21H,1H3,(H2,19,20,22,23)
InChIKeyIDPHPRPMCOPJNX-UHFFFAOYSA-N
XLogP2.53
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

SB 415286
CID 4210951
Slk/stk10-IN-1
CID 6539459
3-[(3-Chloro-4-Hydroxyphenyl)amino]-4-(3-Chlorophenyl)-1h-Pyrrole-2,5-Dione
CID 6539478
3-(2-methoxyphenyl)-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539453
3-[(3-chlorophenyl)amino]-4-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539461
3-[(3-chlorophenyl)amino]-4-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539464
3-[(3-hydroxyphenyl)amino]-4-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539467
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-(3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539479
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 6539477) is 3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccccc1C1=C(Nc2ccc(O)c(Cl)c2)C(=O)NC1=O.
What is the InChIKey of 3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is IDPHPRPMCOPJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-24-13-5-3-2-4-10(13)14-15(17(23)20-16(14)22)19-9-6-7-12(21)11(18)8-9/h2-8,21H,1H3,(H2,19,20,22,23).
What are the key properties of 3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 344.75 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 6539477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).