3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione

C17H12ClFN2O3 — CID 729503

IUPAC3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1N1C(=O)C(Cl)=C(Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H12ClFN2O3/c1-24-13-5-3-2-4-12(13)21-16(22)14(18)15(17(21)23)20-11-8-6-10(19)7-9-11/h2-9,20H,1H3
InChIKeyIWHAYNJBGPMEKP-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.27
Rot. Bonds4

About 3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione

3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 729503) has the molecular formula C17H12ClFN2O3 and a molecular weight of 346.75 g/mol. Its IUPAC name is 3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID729503
Molecular FormulaC17H12ClFN2O3
Molecular Weight346.75 g/mol
Exact Mass346.05
IUPAC Name3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1N1C(=O)C(Cl)=C(Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H12ClFN2O3/c1-24-13-5-3-2-4-12(13)21-16(22)14(18)15(17(21)23)20-11-8-6-10(19)7-9-11/h2-9,20H,1H3
InChIKeyIWHAYNJBGPMEKP-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.27
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

3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 1180646
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110587281
3-(4-methoxyanilino)-1-(2-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593657
3-chloro-1-(2-chlorophenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 1185251
3-(1,3-benzodioxol-5-ylamino)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110545610
3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione
CID 1187268
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110598289
3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595841
3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 710533
3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione
CID 1180622
3-(4-fluorophenyl)-4-(4-methoxyanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110587455
1-(2-methoxyphenyl)-3-phenyl-4-(4-pyrrolidin-1-ylanilino)pyrrole-2,5-dione
CID 110595827

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione (CID 729503) is 3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccccc1N1C(=O)C(Cl)=C(Nc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is IWHAYNJBGPMEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3/c1-24-13-5-3-2-4-12(13)21-16(22)14(18)15(17(21)23)20-11-8-6-10(19)7-9-11/h2-9,20H,1H3.
What are the key properties of 3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 346.75 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 729503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).