3-anilino-4-chloro-1-methylpyrrole-2,5-dione

C11H9ClN2O2 — CID 12553293

IUPAC3-anilino-4-chloro-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C(Cl)=C(Nc2ccccc2)C1=O
InChIInChI=1S/C11H9ClN2O2/c1-14-10(15)8(12)9(11(14)16)13-7-5-3-2-4-6-7/h2-6,13H,1H3
InChIKeyJLWHZYYRTCDPPJ-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.55
Rot. Bonds2

About 3-anilino-4-chloro-1-methylpyrrole-2,5-dione

3-anilino-4-chloro-1-methylpyrrole-2,5-dione (PubChem CID 12553293) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-anilino-4-chloro-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-chloro-1-methylpyrrole-2,5-dione
PubChem CID12553293
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name3-anilino-4-chloro-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C(Cl)=C(Nc2ccccc2)C1=O
InChIInChI=1S/C11H9ClN2O2/c1-14-10(15)8(12)9(11(14)16)13-7-5-3-2-4-6-7/h2-6,13H,1H3
InChIKeyJLWHZYYRTCDPPJ-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.55
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-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 710533
3-anilino-4-chloro-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 101041424
3-[(4-chloro-1-methyl-2,5-dioxopyrrol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20795719
3-chloro-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 724968
3-chloro-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 734947
3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione
CID 110594541
3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 728018
3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione
CID 1187268
ethyl 4-[[4-chloro-2,5-dioxo-1-(2-phenylethyl)pyrrol-3-yl]amino]benzoate
CID 1191571
3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 729503
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonamide
CID 1187263
1-methylpiperazine;N-phenylaniline
CID 161010175

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-chloro-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-chloro-1-methylpyrrole-2,5-dione (CID 12553293) is 3-anilino-4-chloro-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-chloro-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-chloro-1-methylpyrrole-2,5-dione is CN1C(=O)C(Cl)=C(Nc2ccccc2)C1=O.
What is the InChIKey of 3-anilino-4-chloro-1-methylpyrrole-2,5-dione?
The InChIKey is JLWHZYYRTCDPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-14-10(15)8(12)9(11(14)16)13-7-5-3-2-4-6-7/h2-6,13H,1H3.
What are the key properties of 3-anilino-4-chloro-1-methylpyrrole-2,5-dione?
3-anilino-4-chloro-1-methylpyrrole-2,5-dione has a molecular weight of 236.66 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-chloro-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 12553293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).