3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione

C23H26ClN3O2 — CID 110570042

IUPAC3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCCN(CCc1ccncc1)C1=C(c2ccc(Cl)cc2)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C23H26ClN3O2/c1-4-26(14-11-17-9-12-25-13-10-17)21-20(18-5-7-19(24)8-6-18)22(28)27(23(21)29)15-16(2)3/h5-10,12-13,16H,4,11,14-15H2,1-3H3
InChIKeyWHNVCLBZMQZKKM-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.04
Rot. Bonds8

About 3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione

3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione (PubChem CID 110570042) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione
PubChem CID110570042
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCCN(CCc1ccncc1)C1=C(c2ccc(Cl)cc2)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C23H26ClN3O2/c1-4-26(14-11-17-9-12-25-13-10-17)21-20(18-5-7-19(24)8-6-18)22(28)27(23(21)29)15-16(2)3/h5-10,12-13,16H,4,11,14-15H2,1-3H3
InChIKeyWHNVCLBZMQZKKM-UHFFFAOYSA-N
XLogP4.04
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione (CID 110570042) is 3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione is CCN(CCc1ccncc1)C1=C(c2ccc(Cl)cc2)C(=O)N(CC(C)C)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione?
The InChIKey is WHNVCLBZMQZKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-4-26(14-11-17-9-12-25-13-10-17)21-20(18-5-7-19(24)8-6-18)22(28)27(23(21)29)15-16(2)3/h5-10,12-13,16H,4,11,14-15H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione has a molecular weight of 411.93 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110570042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).