3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione

C20H19ClN2O2 — CID 110569648

IUPAC3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C(c2ccc(Cl)cc2)=C(N(C)Cc2ccccc2)C1=O
InChIInChI=1S/C20H19ClN2O2/c1-3-23-19(24)17(15-9-11-16(21)12-10-15)18(20(23)25)22(2)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
InChIKeyGIMCUENVOXVYTQ-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.57
Rot. Bonds5

About 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione

3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione (PubChem CID 110569648) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
PubChem CID110569648
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C(c2ccc(Cl)cc2)=C(N(C)Cc2ccccc2)C1=O
InChIInChI=1S/C20H19ClN2O2/c1-3-23-19(24)17(15-9-11-16(21)12-10-15)18(20(23)25)22(2)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
InChIKeyGIMCUENVOXVYTQ-UHFFFAOYSA-N
XLogP3.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.57
H-Bond Donors ≤ 50
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-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione (CID 110569648) is 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione is CCN1C(=O)C(c2ccc(Cl)cc2)=C(N(C)Cc2ccccc2)C1=O.
What is the InChIKey of 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione?
The InChIKey is GIMCUENVOXVYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-3-23-19(24)17(15-9-11-16(21)12-10-15)18(20(23)25)22(2)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3.
What are the key properties of 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione?
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione has a molecular weight of 354.84 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione is sourced from PubChem (CID 110569648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).