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

C17H12ClNO3 — CID 110583869

IUPAC3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Cl)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H12ClNO3/c1-22-13-10-6-5-9-12(13)14-15(18)17(21)19(16(14)20)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyWYLGOUYFNNDNHD-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.22
Rot. Bonds3

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

3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione (PubChem CID 110583869) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
PubChem CID110583869
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Cl)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H12ClNO3/c1-22-13-10-6-5-9-12(13)14-15(18)17(21)19(16(14)20)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyWYLGOUYFNNDNHD-UHFFFAOYSA-N
XLogP3.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione (CID 110583869) is 3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione is COc1ccccc1C1=C(Cl)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione?
The InChIKey is WYLGOUYFNNDNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-22-13-10-6-5-9-12(13)14-15(18)17(21)19(16(14)20)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione?
3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione has a molecular weight of 313.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110583869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).