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

C19H17ClN2O2 — CID 720385

IUPAC3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCCc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C19H17ClN2O2/c1-3-13-9-5-6-10-14(13)21-17-16(20)18(23)22(19(17)24)15-11-7-4-8-12(15)2/h4-11,21H,3H2,1-2H3
InChIKeyPNKSKSVKSDRVDM-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.99
Rot. Bonds4

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

3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione (PubChem CID 720385) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
PubChem CID720385
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
SMILESCCc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C19H17ClN2O2/c1-3-13-9-5-6-10-14(13)21-17-16(20)18(23)22(19(17)24)15-11-7-4-8-12(15)2/h4-11,21H,3H2,1-2H3
InChIKeyPNKSKSVKSDRVDM-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.99
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-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione (CID 720385) is 3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione is CCc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2C)C1=O.
What is the InChIKey of 3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is PNKSKSVKSDRVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-13-9-5-6-10-14(13)21-17-16(20)18(23)22(19(17)24)15-11-7-4-8-12(15)2/h4-11,21H,3H2,1-2H3.
What are the key properties of 3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione?
3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 340.81 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 720385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).