3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione

C18H14Cl2N2O2 — CID 1185254

IUPAC3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione
SMILESCCc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H14Cl2N2O2/c1-2-11-7-3-5-9-13(11)21-16-15(20)17(23)22(18(16)24)14-10-6-4-8-12(14)19/h3-10,21H,2H2,1H3
InChIKeyHHFCFCXYUKYCIB-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.34
Rot. Bonds4

About 3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione

3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione (PubChem CID 1185254) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione
PubChem CID1185254
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione
SMILESCCc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H14Cl2N2O2/c1-2-11-7-3-5-9-13(11)21-16-15(20)17(23)22(18(16)24)14-10-6-4-8-12(14)19/h3-10,21H,2H2,1H3
InChIKeyHHFCFCXYUKYCIB-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.34
H-Bond Donors ≤ 51
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-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione (CID 1185254) is 3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione is CCc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2Cl)C1=O.
What is the InChIKey of 3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione?
The InChIKey is HHFCFCXYUKYCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-2-11-7-3-5-9-13(11)21-16-15(20)17(23)22(18(16)24)14-10-6-4-8-12(14)19/h3-10,21H,2H2,1H3.
What are the key properties of 3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione?
3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione has a molecular weight of 361.23 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-chlorophenyl)-4-(2-ethylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 1185254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).