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

C17H12ClNO3 — CID 731383

IUPAC3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C(Cl)=C(Oc2ccccc2)C1=O
InChIInChI=1S/C17H12ClNO3/c1-11-7-5-6-10-13(11)19-16(20)14(18)15(17(19)21)22-12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyBBOHLILNARZGQX-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.40
Rot. Bonds3

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

3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione (PubChem CID 731383) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione
PubChem CID731383
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione
SMILESCc1ccccc1N1C(=O)C(Cl)=C(Oc2ccccc2)C1=O
InChIInChI=1S/C17H12ClNO3/c1-11-7-5-6-10-13(11)19-16(20)14(18)15(17(19)21)22-12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyBBOHLILNARZGQX-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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

N-(4-methylphenyl)-2-phenoxyacetamide
CID 689977
N-(3-ethenylphenyl)-2-phenoxyacetamide
CID 2231690
2-(2-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 759341
N-(3-methylphenyl)-2-phenoxyacetamide
CID 689978
1-(Phenoxyacetyl)indoline
CID 730643
N-(3-ethylphenyl)-2-phenoxyacetamide
CID 898185
3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)-1H-pyrrole-2,5-dione
CID 2791433
N-(4-ethoxyphenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
CID 6622315
2-(2-methylphenoxy)-N-phenylacetamide
CID 724135
N-(2,6-Dimethyl-phenyl)-2-phenoxy-acetamide
CID 762949
N-(4-ethoxyphenyl)-N-ethyl-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 5308485
3-(4-fluorophenoxy)-4-hydroxy-1-methyl-2(1H)-quinolinone
CID 54710215

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione (CID 731383) is 3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione is Cc1ccccc1N1C(=O)C(Cl)=C(Oc2ccccc2)C1=O.
What is the InChIKey of 3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione?
The InChIKey is BBOHLILNARZGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-11-7-5-6-10-13(11)19-16(20)14(18)15(17(19)21)22-12-8-3-2-4-9-12/h2-10H,1H3.
What are the key properties of 3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione?
3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione has a molecular weight of 313.74 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-methylphenyl)-4-phenoxypyrrole-2,5-dione is sourced from PubChem (CID 731383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).