3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

C25H22ClN3O5 — CID 165005672

IUPAC3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCc1ccc(CC(=O)Cc2ccc(NC3=CC(=O)N(C4CCC(=O)NC4=O)C3=O)cc2)cc1Cl
InChIInChI=1S/C25H22ClN3O5/c1-14-2-3-16(12-19(14)26)11-18(30)10-15-4-6-17(7-5-15)27-20-13-23(32)29(25(20)34)21-8-9-22(31)28-24(21)33/h2-7,12-13,21,27H,8-11H2,1H3,(H,28,31,33)
InChIKeyIXQLNHSLLRJCON-UHFFFAOYSA-N
MW479.92 g/mol
LogP2.47
Rot. Bonds7

About 3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (PubChem CID 165005672) has the molecular formula C25H22ClN3O5 and a molecular weight of 479.92 g/mol. Its IUPAC name is 3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
PubChem CID165005672
Molecular FormulaC25H22ClN3O5
Molecular Weight479.92 g/mol
Exact Mass479.12
IUPAC Name3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCc1ccc(CC(=O)Cc2ccc(NC3=CC(=O)N(C4CCC(=O)NC4=O)C3=O)cc2)cc1Cl
InChIInChI=1S/C25H22ClN3O5/c1-14-2-3-16(12-19(14)26)11-18(30)10-15-4-6-17(7-5-15)27-20-13-23(32)29(25(20)34)21-8-9-22(31)28-24(21)33/h2-7,12-13,21,27H,8-11H2,1H3,(H,28,31,33)
InChIKeyIXQLNHSLLRJCON-UHFFFAOYSA-N
XLogP2.47
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 146628561
1-(3-chloro-4-methylphenyl)-3-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]methyl]urea
CID 164988244
N-(3-chloro-4-methylphenyl)-2-[1-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropyl]acetamide
CID 166855592
3-[3-[3-[6-(4-chloro-3-methylphenyl)-4-oxohexan-2-yl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 165071940
1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea
CID 146666503
N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide
CID 146627956
1-(3-chloro-4-methylphenyl)-3-[[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-2,5-dioxopyrrol-3-yl]oxyphenyl]methyl]urea
CID 167099940
3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide
CID 146666744
1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[4-(4-methylphenyl)-3-oxobutyl]anilino]pyrrole-2,5-dione
CID 165021621
3-[3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]phenoxy]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
CID 165065193
1-(3-chloro-4-methylphenyl)-3-[1-[3-methyl-5-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]ethyl]urea
CID 165101911
1-(3-chloro-4-methylphenyl)-3-[6-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]-1H-inden-1-yl]urea
CID 164954317

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (CID 165005672) is 3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is Cc1ccc(CC(=O)Cc2ccc(NC3=CC(=O)N(C4CCC(=O)NC4=O)C3=O)cc2)cc1Cl.
What is the InChIKey of 3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is IXQLNHSLLRJCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O5/c1-14-2-3-16(12-19(14)26)11-18(30)10-15-4-6-17(7-5-15)27-20-13-23(32)29(25(20)34)21-8-9-22(31)28-24(21)33/h2-7,12-13,21,27H,8-11H2,1H3,(H,28,31,33).
What are the key properties of 3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 479.92 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 165005672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).