3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione

C22H19Cl2N3O4 — CID 1407609

IUPAC3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
SMILESCc1ccc(C(=O)N2CCOCC2)cc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H19Cl2N3O4/c1-13-2-3-14(20(28)26-8-10-31-11-9-26)12-17(13)25-19-18(24)21(29)27(22(19)30)16-6-4-15(23)5-7-16/h2-7,12,25H,8-11H2,1H3
InChIKeyDQNHYRHXHVCDDF-UHFFFAOYSA-N
MW460.32 g/mol
LogP3.56
Rot. Bonds4

About 3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione

3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione (PubChem CID 1407609) has the molecular formula C22H19Cl2N3O4 and a molecular weight of 460.32 g/mol. Its IUPAC name is 3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
PubChem CID1407609
Molecular FormulaC22H19Cl2N3O4
Molecular Weight460.32 g/mol
Exact Mass459.08
IUPAC Name3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
SMILESCc1ccc(C(=O)N2CCOCC2)cc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H19Cl2N3O4/c1-13-2-3-14(20(28)26-8-10-31-11-9-26)12-17(13)25-19-18(24)21(29)27(22(19)30)16-6-4-15(23)5-7-16/h2-7,12,25H,8-11H2,1H3
InChIKeyDQNHYRHXHVCDDF-UHFFFAOYSA-N
XLogP3.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(4-methoxyphenyl)-4-[2-methyl-5-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione
CID 1407871
3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione
CID 1407606
2-(4-chlorophenyl)-5-(morpholine-4-carbonyl)isoindole-1,3-dione
CID 2100384
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 99637235
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
CID 1407566
N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
CID 1407525
3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide
CID 1407792
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 1407534
N-benzyl-3-[[4-chloro-1-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
CID 1407921
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 21367728
4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide
CID 30836918

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione (CID 1407609) is 3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione is Cc1ccc(C(=O)N2CCOCC2)cc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione?
The InChIKey is DQNHYRHXHVCDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O4/c1-13-2-3-14(20(28)26-8-10-31-11-9-26)12-17(13)25-19-18(24)21(29)27(22(19)30)16-6-4-15(23)5-7-16/h2-7,12,25H,8-11H2,1H3.
What are the key properties of 3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione?
3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione has a molecular weight of 460.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 1407609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).