1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione

C17H13ClN2O3 — CID 134879398

IUPAC1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione
SMILESCOC1=C(c2ccccc2)C(=O)N(c2cc(Cl)ccc2N)C1=O
InChIInChI=1S/C17H13ClN2O3/c1-23-15-14(10-5-3-2-4-6-10)16(21)20(17(15)22)13-9-11(18)7-8-12(13)19/h2-9H,19H2,1H3
InChIKeyIODQNUYZWFNODT-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.85
Rot. Bonds3

About 1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione

1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione (PubChem CID 134879398) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione
PubChem CID134879398
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione
SMILESCOC1=C(c2ccccc2)C(=O)N(c2cc(Cl)ccc2N)C1=O
InChIInChI=1S/C17H13ClN2O3/c1-23-15-14(10-5-3-2-4-6-10)16(21)20(17(15)22)13-9-11(18)7-8-12(13)19/h2-9H,19H2,1H3
InChIKeyIODQNUYZWFNODT-UHFFFAOYSA-N
XLogP2.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110561632
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595852
1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574357
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571146
2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione
CID 43345930
1-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-phenylpyrrole-2,5-dione
CID 110562167
2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione
CID 43345931
1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571188
1-(5-chloro-2-methoxyphenyl)-3-(3,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110550560
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567492
1-(2,5-dichlorophenyl)-3-(2-hydroxyethylsulfanyl)-4-phenylpyrrole-2,5-dione
CID 110562180
1-(2,5-dichlorophenyl)-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110574784

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione (CID 134879398) is 1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione is COC1=C(c2ccccc2)C(=O)N(c2cc(Cl)ccc2N)C1=O.
What is the InChIKey of 1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione?
The InChIKey is IODQNUYZWFNODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-15-14(10-5-3-2-4-6-10)16(21)20(17(15)22)13-9-11(18)7-8-12(13)19/h2-9H,19H2,1H3.
What are the key properties of 1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione?
1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione has a molecular weight of 328.76 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 134879398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).