1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

C20H18ClNO4 — CID 110582236

IUPAC1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccc(C2=C(O)C(=O)N(Cc3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C20H18ClNO4/c1-12(2)26-15-9-7-13(8-10-15)17-18(23)20(25)22(19(17)24)11-14-5-3-4-6-16(14)21/h3-10,12,23H,11H2,1-2H3
InChIKeyBZVRDFLRIVTOPJ-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.97
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110582236) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110582236
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccc(C2=C(O)C(=O)N(Cc3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C20H18ClNO4/c1-12(2)26-15-9-7-13(8-10-15)17-18(23)20(25)22(19(17)24)11-14-5-3-4-6-16(14)21/h3-10,12,23H,11H2,1-2H3
InChIKeyBZVRDFLRIVTOPJ-UHFFFAOYSA-N
XLogP3.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.97
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

1-benzyl-3-chloro-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584457
1-(3-chlorophenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582302
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110555914
1-[(2-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110546265
1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581977
1-[(2-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110546261
1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572019
3-[bis(2-methoxyethyl)amino]-1-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572010
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110555926
1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110572017
1-(4-ethoxyphenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582293
3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110581863

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110582236) is 1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is CC(C)Oc1ccc(C2=C(O)C(=O)N(Cc3ccccc3Cl)C2=O)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is BZVRDFLRIVTOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-12(2)26-15-9-7-13(8-10-15)17-18(23)20(25)22(19(17)24)11-14-5-3-4-6-16(14)21/h3-10,12,23H,11H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 371.82 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110582236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).