3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione

C17H10ClF2NO2 — CID 110584277

IUPAC3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1
InChIInChI=1S/C17H10ClF2NO2/c1-9-2-4-10(5-3-9)14-15(18)17(23)21(16(14)22)11-6-7-12(19)13(20)8-11/h2-8H,1H3
InChIKeyNVHACSSQRWDBJU-UHFFFAOYSA-N
MW333.72 g/mol
LogP3.80
Rot. Bonds2

About 3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione

3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110584277) has the molecular formula C17H10ClF2NO2 and a molecular weight of 333.72 g/mol. Its IUPAC name is 3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110584277
Molecular FormulaC17H10ClF2NO2
Molecular Weight333.72 g/mol
Exact Mass333.04
IUPAC Name3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1
InChIInChI=1S/C17H10ClF2NO2/c1-9-2-4-10(5-3-9)14-15(18)17(23)21(16(14)22)11-6-7-12(19)13(20)8-11/h2-8H,1H3
InChIKeyNVHACSSQRWDBJU-UHFFFAOYSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.72
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(3,4-dichlorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584245
3-chloro-4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584110
3-chloro-1-(3-chloro-4-fluorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110582166
3-chloro-1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584236
3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584265
3-chloro-1-(3-chloro-4-fluorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110580715
3-chloro-4-(4-methylphenyl)-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 110584172
3-chloro-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110582148
3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574671
1-(3,4-difluorophenyl)-3-(2,5-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587504
1-(3,4-difluorophenyl)-3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110574657
1-(4-bromophenyl)-3-chloro-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110580868

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110584277) is 3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(Cl)C(=O)N(c3ccc(F)c(F)c3)C2=O)cc1.
What is the InChIKey of 3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is NVHACSSQRWDBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2NO2/c1-9-2-4-10(5-3-9)14-15(18)17(23)21(16(14)22)11-6-7-12(19)13(20)8-11/h2-8H,1H3.
What are the key properties of 3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 333.72 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110584277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).