1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione

C18H15FN2O2 — CID 110594516

IUPAC1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C18H15FN2O2/c1-2-21-17(22)15(12-6-4-3-5-7-12)16(18(21)23)20-14-10-8-13(19)9-11-14/h3-11,20H,2H2,1H3
InChIKeyMPGZLDFEBSMFSO-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.04
Rot. Bonds4

About 1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione

1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 110594516) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione
PubChem CID110594516
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C18H15FN2O2/c1-2-21-17(22)15(12-6-4-3-5-7-12)16(18(21)23)20-14-10-8-13(19)9-11-14/h3-11,20H,2H2,1H3
InChIKeyMPGZLDFEBSMFSO-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.04
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-anilino-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586261
3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110594524
3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
CID 110599287
3-[4-(dimethylamino)anilino]-1-[(4-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594695
3-anilino-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586425
3-(2-ethoxyanilino)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586250
3-(4-fluoroanilino)-4-phenyl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110594670
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110586482
3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110594520
3-[4-(diethylamino)anilino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110585967
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470
3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110599440

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione (CID 110594516) is 1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione is CCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccccc2)C1=O.
What is the InChIKey of 1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is MPGZLDFEBSMFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-2-21-17(22)15(12-6-4-3-5-7-12)16(18(21)23)20-14-10-8-13(19)9-11-14/h3-11,20H,2H2,1H3.
What are the key properties of 1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione?
1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 310.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110594516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).