3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione

C27H26ClN3O4 — CID 165002748

IUPAC3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
SMILESC=C1CCC(N2C(=O)C=C(Nc3cccc(C(C)CC(=O)Cc4cccc(Cl)c4)c3)C2=O)C(=O)N1
InChIInChI=1S/C27H26ClN3O4/c1-16(11-22(32)13-18-5-3-7-20(28)12-18)19-6-4-8-21(14-19)30-23-15-25(33)31(27(23)35)24-10-9-17(2)29-26(24)34/h3-8,12,14-16,24,30H,2,9-11,13H2,1H3,(H,29,34)
InChIKeyOBQGLVGRZYOYOO-UHFFFAOYSA-N
MW491.98 g/mol
LogP4.10
Rot. Bonds8

About 3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione

3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione (PubChem CID 165002748) has the molecular formula C27H26ClN3O4 and a molecular weight of 491.98 g/mol. Its IUPAC name is 3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
PubChem CID165002748
Molecular FormulaC27H26ClN3O4
Molecular Weight491.98 g/mol
Exact Mass491.16
IUPAC Name3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
SMILESC=C1CCC(N2C(=O)C=C(Nc3cccc(C(C)CC(=O)Cc4cccc(Cl)c4)c3)C2=O)C(=O)N1
InChIInChI=1S/C27H26ClN3O4/c1-16(11-22(32)13-18-5-3-7-20(28)12-18)19-6-4-8-21(14-19)30-23-15-25(33)31(27(23)35)24-10-9-17(2)29-26(24)34/h3-8,12,14-16,24,30H,2,9-11,13H2,1H3,(H,29,34)
InChIKeyOBQGLVGRZYOYOO-UHFFFAOYSA-N
XLogP4.10
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 54.10
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

1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-(3-oxo-4-phenylbutyl)anilino]pyrrole-2,5-dione
CID 164985332
3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
CID 164974398
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
3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 165005672
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
3-[3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]phenoxy]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
CID 165065193
3-(1H-indol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
CID 164982701
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
tert-butyl N-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]methyl]-N-methylcarbamate
CID 168803116
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
N,N-dimethyl-3-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]benzamide;N,N-dimethyl-4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]benzamide;N,N-dimethyl-2-[3-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]acetamide;3-(1H-indazol-6-ylamino)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione
CID 165001418

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione (CID 165002748) is 3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione is C=C1CCC(N2C(=O)C=C(Nc3cccc(C(C)CC(=O)Cc4cccc(Cl)c4)c3)C2=O)C(=O)N1.
What is the InChIKey of 3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?
The InChIKey is OBQGLVGRZYOYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O4/c1-16(11-22(32)13-18-5-3-7-20(28)12-18)19-6-4-8-21(14-19)30-23-15-25(33)31(27(23)35)24-10-9-17(2)29-26(24)34/h3-8,12,14-16,24,30H,2,9-11,13H2,1H3,(H,29,34).
What are the key properties of 3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione?
3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione has a molecular weight of 491.98 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 165002748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).