3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione

C19H15ClFNO3 — CID 110580860

IUPAC3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccccc1N1C(=O)C(Cl)=C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H15ClFNO3/c1-11(2)25-15-6-4-3-5-14(15)22-18(23)16(17(20)19(22)24)12-7-9-13(21)10-8-12/h3-11H,1-2H3
InChIKeyYKZDVQNAWXPUST-UHFFFAOYSA-N
MW359.78 g/mol
LogP4.14
Rot. Bonds4

About 3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione

3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110580860) has the molecular formula C19H15ClFNO3 and a molecular weight of 359.78 g/mol. Its IUPAC name is 3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110580860
Molecular FormulaC19H15ClFNO3
Molecular Weight359.78 g/mol
Exact Mass359.07
IUPAC Name3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccccc1N1C(=O)C(Cl)=C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H15ClFNO3/c1-11(2)25-15-6-4-3-5-14(15)22-18(23)16(17(20)19(22)24)12-7-9-13(21)10-8-12/h3-11H,1-2H3
InChIKeyYKZDVQNAWXPUST-UHFFFAOYSA-N
XLogP4.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110580877
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110587203
3-hydroxy-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110581253
3-(2,5-dimethylanilino)-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110587211
3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584552
3-phenyl-4-phenylsulfanyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110561465
3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110595733
3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581130
3-chloro-1-(2-chlorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110583260
3-chloro-1-(2-ethoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110580699
3-chloro-1-(2,4-dimethylphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584537
3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110561457

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110580860) is 3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione is CC(C)Oc1ccccc1N1C(=O)C(Cl)=C(c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is YKZDVQNAWXPUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3/c1-11(2)25-15-6-4-3-5-14(15)22-18(23)16(17(20)19(22)24)12-7-9-13(21)10-8-12/h3-11H,1-2H3.
What are the key properties of 3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 359.78 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110580860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).