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

C16H14ClN3O4 — CID 146628561

IUPAC3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCc1ccc(NC2=CC(=O)N(C3CCC(=O)NC3=O)C2=O)cc1Cl
InChIInChI=1S/C16H14ClN3O4/c1-8-2-3-9(6-10(8)17)18-11-7-14(22)20(16(11)24)12-4-5-13(21)19-15(12)23/h2-3,6-7,12,18H,4-5H2,1H3,(H,19,21,23)
InChIKeyISUGDOXMLSRCMB-UHFFFAOYSA-N
MW347.76 g/mol
LogP1.12
Rot. Bonds3

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

3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (PubChem CID 146628561) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is 3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
PubChem CID146628561
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC Name3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCc1ccc(NC2=CC(=O)N(C3CCC(=O)NC3=O)C2=O)cc1Cl
InChIInChI=1S/C16H14ClN3O4/c1-8-2-3-9(6-10(8)17)18-11-7-14(22)20(16(11)24)12-4-5-13(21)19-15(12)23/h2-3,6-7,12,18H,4-5H2,1H3,(H,19,21,23)
InChIKeyISUGDOXMLSRCMB-UHFFFAOYSA-N
XLogP1.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 165005672
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
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
1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea
CID 146666503
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-[6-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]-1H-inden-1-yl]urea
CID 164954317
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-[[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-2,5-dioxopyrrol-3-yl]oxyphenyl]methyl]urea
CID 167099940
N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide
CID 146627956
3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide
CID 146666744
cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide
CID 166855352
2-[[3-chloro-4-(trifluoromethyl)anilino]methyl]-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]pentanal
CID 146666488

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (CID 146628561) is 3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is Cc1ccc(NC2=CC(=O)N(C3CCC(=O)NC3=O)C2=O)cc1Cl.
What is the InChIKey of 3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is ISUGDOXMLSRCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-8-2-3-9(6-10(8)17)18-11-7-14(22)20(16(11)24)12-4-5-13(21)19-15(12)23/h2-3,6-7,12,18H,4-5H2,1H3,(H,19,21,23).
What are the key properties of 3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 347.76 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 146628561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).