3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione

C18H15ClN2O2 — CID 166342350

IUPAC3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione
SMILESO=C1C=C(NCCc2ccc(Cl)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H15ClN2O2/c19-14-8-6-13(7-9-14)10-11-20-16-12-17(22)21(18(16)23)15-4-2-1-3-5-15/h1-9,12,20H,10-11H2
InChIKeyHFCXOSJGSUTTJC-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.93
Rot. Bonds5

About 3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione

3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione (PubChem CID 166342350) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione
PubChem CID166342350
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione
SMILESO=C1C=C(NCCc2ccc(Cl)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H15ClN2O2/c19-14-8-6-13(7-9-14)10-11-20-16-12-17(22)21(18(16)23)15-4-2-1-3-5-15/h1-9,12,20H,10-11H2
InChIKeyHFCXOSJGSUTTJC-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 54798222
3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 16647871
N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
CID 54795955
1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 46337473
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
CID 54801504
3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 52943486
N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
CID 54796770
6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025748
N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2078312
3-(3-fluoro-2-hydroxy-4-methylanilino)-1-phenylpyrrole-2,5-dione
CID 165078173
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2086576

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione (CID 166342350) is 3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione is O=C1C=C(NCCc2ccc(Cl)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione?
The InChIKey is HFCXOSJGSUTTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-14-8-6-13(7-9-14)10-11-20-16-12-17(22)21(18(16)23)15-4-2-1-3-5-15/h1-9,12,20H,10-11H2.
What are the key properties of 3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione?
3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione has a molecular weight of 326.78 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 166342350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).