3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione

C17H13ClN2O3 — CID 718925

IUPAC3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione
SMILESCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H13ClN2O3/c1-23-13-10-6-5-9-12(13)19-15-14(18)16(21)20(17(15)22)11-7-3-2-4-8-11/h2-10,19H,1H3
InChIKeyMUQPQNPZTHUJQM-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.13
Rot. Bonds4

About 3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione

3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione (PubChem CID 718925) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione
PubChem CID718925
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione
SMILESCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H13ClN2O3/c1-23-13-10-6-5-9-12(13)19-15-14(18)16(21)20(17(15)22)11-7-3-2-4-8-11/h2-10,19H,1H3
InChIKeyMUQPQNPZTHUJQM-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-(2-methoxyphenyl)-
CID 7135
2-Chloro-N-(2-methoxyphenyl)acetamide
CID 41647
N-(2-Methoxyphenyl)maleimide
CID 97695
2,5-Bis(2-methoxyanilino)-3,6-dichloro-1,4-benzoquinone
CID 351565
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
2-Phenoxyacetanilide
CID 897080
N,N'-bis(2-methoxyphenyl)hexanediamide
CID 2165672
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240
N~1~,N~3~-Bis(2-methoxyphenyl)propanediamide
CID 685575
3-Chloro-1-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 734031
N-(2-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2234469

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione (CID 718925) is 3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione is COc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione?
The InChIKey is MUQPQNPZTHUJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-13-10-6-5-9-12(13)19-15-14(18)16(21)20(17(15)22)11-7-3-2-4-8-11/h2-10,19H,1H3.
What are the key properties of 3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione?
3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione has a molecular weight of 328.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-methoxyanilino)-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 718925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).