3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione

C19H15Cl2FN2O3 — CID 110598834

IUPAC3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C19H15Cl2FN2O3/c1-27-9-8-24-18(25)16(14-7-2-11(20)10-15(14)21)17(19(24)26)23-13-5-3-12(22)4-6-13/h2-7,10,23H,8-9H2,1H3
InChIKeyNSWDHOMVMRHTDZ-UHFFFAOYSA-N
MW409.24 g/mol
LogP3.97
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione

3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione (PubChem CID 110598834) has the molecular formula C19H15Cl2FN2O3 and a molecular weight of 409.24 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
PubChem CID110598834
Molecular FormulaC19H15Cl2FN2O3
Molecular Weight409.24 g/mol
Exact Mass408.04
IUPAC Name3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C19H15Cl2FN2O3/c1-27-9-8-24-18(25)16(14-7-2-11(20)10-15(14)21)17(19(24)26)23-13-5-3-12(22)4-6-13/h2-7,10,23H,8-9H2,1H3
InChIKeyNSWDHOMVMRHTDZ-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 53.97
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-(1,3-benzodioxol-5-ylamino)-4-(2,4-dichlorophenyl)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110568269
3-(2,4-dichlorophenyl)-4-(3-methoxyanilino)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110598868
3-(2,4-dichlorophenyl)-4-[4-(dimethylamino)anilino]-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110598936
3-[4-(dimethylamino)anilino]-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110586303
3-(5-chloro-2-methylanilino)-4-(4-fluorophenyl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110586368
3-anilino-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110598907
3-(3-chloro-4-methoxyanilino)-4-(2,4-dichlorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110598897
3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598770
3-(2,4-dichlorophenyl)-4-[4-(dimethylamino)anilino]-1-prop-2-enylpyrrole-2,5-dione
CID 110598917
3-(5-chloro-2-methylanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594593
3-(2,4-dichlorophenyl)-4-[4-(diethylamino)anilino]-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110598890
3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110586310

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione (CID 110598834) is 3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione is COCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The InChIKey is NSWDHOMVMRHTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O3/c1-27-9-8-24-18(25)16(14-7-2-11(20)10-15(14)21)17(19(24)26)23-13-5-3-12(22)4-6-13/h2-7,10,23H,8-9H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione has a molecular weight of 409.24 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-(4-fluoroanilino)-1-(2-methoxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110598834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).