3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione

C18H15ClN2O3 — CID 724958

IUPAC3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Nc2ccccc2O)C(=O)N1CCc1ccccc1
InChIInChI=1S/C18H15ClN2O3/c19-15-16(20-13-8-4-5-9-14(13)22)18(24)21(17(15)23)11-10-12-6-2-1-3-7-12/h1-9,20,22H,10-11H2
InChIKeyFSZYTUWZCVMYGD-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.87
Rot. Bonds5

About 3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione

3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 724958) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID724958
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Nc2ccccc2O)C(=O)N1CCc1ccccc1
InChIInChI=1S/C18H15ClN2O3/c19-15-16(20-13-8-4-5-9-14(13)22)18(24)21(17(15)23)11-10-12-6-2-1-3-7-12/h1-9,20,22H,10-11H2
InChIKeyFSZYTUWZCVMYGD-UHFFFAOYSA-N
XLogP2.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 724968
3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione
CID 2791448
3-chloro-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 734947
4-[[4-chloro-2,5-dioxo-1-(2-phenylethyl)pyrrol-3-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 1194917
ethyl 4-[[4-chloro-2,5-dioxo-1-(2-phenylethyl)pyrrol-3-yl]amino]benzoate
CID 1191571
3-chloro-1-(2-phenylethyl)-4-[4-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione
CID 1194929
3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110594191
1-benzyl-3-chloro-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 720409
3-(3-chloro-2-methylanilino)-4-(4-nitrophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110584974
5-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N,N-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 20795806
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide
CID 1187263
3-(4-chlorophenyl)-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599049

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione (CID 724958) is 3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione is O=C1C(Cl)=C(Nc2ccccc2O)C(=O)N1CCc1ccccc1.
What is the InChIKey of 3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is FSZYTUWZCVMYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-15-16(20-13-8-4-5-9-14(13)22)18(24)21(17(15)23)11-10-12-6-2-1-3-7-12/h1-9,20,22H,10-11H2.
What are the key properties of 3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 342.78 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 724958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).