1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione

C25H28ClN3O3 — CID 110566846

IUPAC1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N(C)C2CCN(C)CC2)C(=O)N(c2cc(Cl)ccc2C)C1=O
InChIInChI=1S/C25H28ClN3O3/c1-16-9-10-17(26)15-20(16)29-24(30)22(19-7-5-6-8-21(19)32-4)23(25(29)31)28(3)18-11-13-27(2)14-12-18/h5-10,15,18H,11-14H2,1-4H3
InChIKeyNQKNMJJXNWIZDN-UHFFFAOYSA-N
MW453.97 g/mol
LogP3.97
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione

1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione (PubChem CID 110566846) has the molecular formula C25H28ClN3O3 and a molecular weight of 453.97 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
PubChem CID110566846
Molecular FormulaC25H28ClN3O3
Molecular Weight453.97 g/mol
Exact Mass453.18
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N(C)C2CCN(C)CC2)C(=O)N(c2cc(Cl)ccc2C)C1=O
InChIInChI=1S/C25H28ClN3O3/c1-16-9-10-17(26)15-20(16)29-24(30)22(19-7-5-6-8-21(19)32-4)23(25(29)31)28(3)18-11-13-27(2)14-12-18/h5-10,15,18H,11-14H2,1-4H3
InChIKeyNQKNMJJXNWIZDN-UHFFFAOYSA-N
XLogP3.97
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110566903
3-(3,4-dimethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110565082
1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110566840
1-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110566202
1-(4-chloro-2-methylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574407
3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-octylpyrrole-2,5-dione
CID 110566529
3-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110550642
3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110566477
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110570872
3-benzylsulfanyl-1-(5-chloro-2-methylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566858
1-(2,5-dimethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573666
1-(2-methoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542575

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione (CID 110566846) is 1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione is COc1ccccc1C1=C(N(C)C2CCN(C)CC2)C(=O)N(c2cc(Cl)ccc2C)C1=O.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione?
The InChIKey is NQKNMJJXNWIZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3/c1-16-9-10-17(26)15-20(16)29-24(30)22(19-7-5-6-8-21(19)32-4)23(25(29)31)28(3)18-11-13-27(2)14-12-18/h5-10,15,18H,11-14H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione?
1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione has a molecular weight of 453.97 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 110566846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).