3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione

C17H11ClFNO2 — CID 110583442

IUPAC3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2ccccc2)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C17H11ClFNO2/c18-15-14(11-6-2-1-3-7-11)16(21)20(17(15)22)10-12-8-4-5-9-13(12)19/h1-9H,10H2
InChIKeyLWIOIBIIDSTBSN-UHFFFAOYSA-N
MW315.73 g/mol
LogP3.34
Rot. Bonds3

About 3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione

3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione (PubChem CID 110583442) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is 3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
PubChem CID110583442
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Name3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2ccccc2)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C17H11ClFNO2/c18-15-14(11-6-2-1-3-7-11)16(21)20(17(15)22)10-12-8-4-5-9-13(12)19/h1-9H,10H2
InChIKeyLWIOIBIIDSTBSN-UHFFFAOYSA-N
XLogP3.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 53.34
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-benzylsulfanyl-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110559921
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110570002
3-chloro-4-phenyl-1-propylpyrrole-2,5-dione
CID 110583431
3-chloro-1-[[4-(dimethylamino)phenyl]methyl]-4-phenylpyrrole-2,5-dione
CID 69148011
3-benzylsulfanyl-4-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110544180
3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544172
3-benzylsulfanyl-1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572890
1-[(2-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfanyl-4-phenylpyrrole-2,5-dione
CID 110558985
1-benzyl-3-chloro-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584457
1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110556703
3-chloro-1-[(3,4-dimethoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110583454
3-chloro-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110584186

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione (CID 110583442) is 3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione is O=C1C(Cl)=C(c2ccccc2)C(=O)N1Cc1ccccc1F.
What is the InChIKey of 3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione?
The InChIKey is LWIOIBIIDSTBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c18-15-14(11-6-2-1-3-7-11)16(21)20(17(15)22)10-12-8-4-5-9-13(12)19/h1-9H,10H2.
What are the key properties of 3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione?
3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione has a molecular weight of 315.73 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(2-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110583442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).