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

C21H24ClN3O5 — CID 20795749

IUPAC3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
SMILESO=C(c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1O)N1CCOCC1
InChIInChI=1S/C21H24ClN3O5/c22-16-17(21(29)25(20(16)28)13-5-2-1-3-6-13)23-15-8-4-7-14(18(15)26)19(27)24-9-11-30-12-10-24/h4,7-8,13,23,26H,1-3,5-6,9-12H2
InChIKeyDGXOYDSWNHFPRU-UHFFFAOYSA-N
MW433.89 g/mol
LogP2.43
Rot. Bonds4

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

3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione (PubChem CID 20795749) has the molecular formula C21H24ClN3O5 and a molecular weight of 433.89 g/mol. Its IUPAC name is 3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
PubChem CID20795749
Molecular FormulaC21H24ClN3O5
Molecular Weight433.89 g/mol
Exact Mass433.14
IUPAC Name3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
SMILESO=C(c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1O)N1CCOCC1
InChIInChI=1S/C21H24ClN3O5/c22-16-17(21(29)25(20(16)28)13-5-2-1-3-6-13)23-15-8-4-7-14(18(15)26)19(27)24-9-11-30-12-10-24/h4,7-8,13,23,26H,1-3,5-6,9-12H2
InChIKeyDGXOYDSWNHFPRU-UHFFFAOYSA-N
XLogP2.43
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione with MolForge

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Related Compounds

3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-methylphenyl)benzamide
CID 1407830
3-anilino-4-[2-hydroxy-3-(pyrrolidine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione
CID 59068176
3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione
CID 137479492
2-[[4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzoyl]amino]benzoic acid
CID 1408080
1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2959439
4-[[3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methylbenzoyl]amino]benzoic acid
CID 1407834
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
3-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]-4-[[(1R)-1-(5-methyl-4-propan-2-ylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione
CID 23648965
3-[[1-cyclohexyl-2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20795608
3-[3-(azepane-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione
CID 58736566
4-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]morpholine-2-carboxylic acid
CID 58736438
3-(2-chloro-3-fluoroanilino)-4-[2-hydroxy-3-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)anilino]cyclobut-3-ene-1,2-dione
CID 88545396

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione (CID 20795749) is 3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione is O=C(c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1O)N1CCOCC1.
What is the InChIKey of 3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione?
The InChIKey is DGXOYDSWNHFPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5/c22-16-17(21(29)25(20(16)28)13-5-2-1-3-6-13)23-15-8-4-7-14(18(15)26)19(27)24-9-11-30-12-10-24/h4,7-8,13,23,26H,1-3,5-6,9-12H2.
What are the key properties of 3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione?
3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione has a molecular weight of 433.89 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-cyclohexyl-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 20795749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).