3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione

C12H11ClN2O2 — CID 16647844

IUPAC3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C=C(Nc2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H11ClN2O2/c1-2-15-11(16)7-10(12(15)17)14-9-5-3-4-8(13)6-9/h3-7,14H,2H2,1H3
InChIKeyLCEPCTSDLOFHSM-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.02
Rot. Bonds3

About 3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione

3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione (PubChem CID 16647844) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione
PubChem CID16647844
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C=C(Nc2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H11ClN2O2/c1-2-15-11(16)7-10(12(15)17)14-9-5-3-4-8(13)6-9/h3-7,14H,2H2,1H3
InChIKeyLCEPCTSDLOFHSM-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromoanilino)-1-ethylpyrrole-2,5-dione
CID 16647846
1-ethyl-3-(4-methyl-3-nitroanilino)pyrrole-2,5-dione
CID 16647853
4-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
CID 168557490
1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione
CID 16647809
3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 16647775
3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 165019801
3-(3-bromo-4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556535
N-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-2-methylbenzamide
CID 168558655
1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione
CID 16647792
3-[3-(3-fluoro-4-methoxyphenyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557935
3-[3-(4-bromo-1-methylpyrazol-5-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556877
2-chloro-4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide
CID 168556316

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione?
The IUPAC name of 3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione (CID 16647844) is 3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione?
The canonical SMILES for 3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione is CCN1C(=O)C=C(Nc2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione?
The InChIKey is LCEPCTSDLOFHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-2-15-11(16)7-10(12(15)17)14-9-5-3-4-8(13)6-9/h3-7,14H,2H2,1H3.
What are the key properties of 3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione?
3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione has a molecular weight of 250.69 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-1-ethylpyrrole-2,5-dione is sourced from PubChem (CID 16647844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).