3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione

C19H18N2O2 — CID 110594986

IUPAC3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(Nc2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C19H18N2O2/c1-13(2)21-18(22)16(14-9-5-3-6-10-14)17(19(21)23)20-15-11-7-4-8-12-15/h3-13,20H,1-2H3
InChIKeyRGYQDQDNDSHZBJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.29
Rot. Bonds4

About 3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione

3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110594986) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110594986
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(Nc2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C19H18N2O2/c1-13(2)21-18(22)16(14-9-5-3-6-10-14)17(19(21)23)20-15-11-7-4-8-12-15/h3-13,20H,1-2H3
InChIKeyRGYQDQDNDSHZBJ-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.29
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

3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
CID 110594972
3-anilino-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110585459
3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
CID 110594969
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110586633
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110599618
3-(4-fluorophenyl)-1-propan-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110586637
3-(3-ethoxyanilino)-4-(4-fluorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110586623
3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110588082
3-[4-(diethylamino)anilino]-4-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110593192
3-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)anilino]-1-propan-2-ylpyrrole-2,5-dione
CID 110597139
N-[4-[4-[4-(4-methylpiperazin-1-yl)anilino]-2,5-dioxo-1-propan-2-ylpyrrol-3-yl]phenyl]acetamide
CID 110596586
3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110594191

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione (CID 110594986) is 3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione is CC(C)N1C(=O)C(Nc2ccccc2)=C(c2ccccc2)C1=O.
What is the InChIKey of 3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is RGYQDQDNDSHZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(2)21-18(22)16(14-9-5-3-6-10-14)17(19(21)23)20-15-11-7-4-8-12-15/h3-13,20H,1-2H3.
What are the key properties of 3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione?
3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 306.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110594986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).