N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide

C24H21ClN4O5 — CID 146627956

IUPACN-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide
SMILESO=C1CCC(N2C(=O)C=C(Nc3cccc(CCC(=O)Nc4ccc(Cl)cc4)c3)C2=O)C(=O)N1
InChIInChI=1S/C24H21ClN4O5/c25-15-5-7-16(8-6-15)27-20(30)10-4-14-2-1-3-17(12-14)26-18-13-22(32)29(24(18)34)19-9-11-21(31)28-23(19)33/h1-3,5-8,12-13,19,26H,4,9-11H2,(H,27,30)(H,28,31,33)
InChIKeySGTQONJZISQFNG-UHFFFAOYSA-N
MW480.91 g/mol
LogP2.38
Rot. Bonds7

About N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide

N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide (PubChem CID 146627956) has the molecular formula C24H21ClN4O5 and a molecular weight of 480.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide
PubChem CID146627956
Molecular FormulaC24H21ClN4O5
Molecular Weight480.91 g/mol
Exact Mass480.12
IUPAC NameN-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide
SMILESO=C1CCC(N2C(=O)C=C(Nc3cccc(CCC(=O)Nc4ccc(Cl)cc4)c3)C2=O)C(=O)N1
InChIInChI=1S/C24H21ClN4O5/c25-15-5-7-16(8-6-15)27-20(30)10-4-14-2-1-3-17(12-14)26-18-13-22(32)29(24(18)34)19-9-11-21(31)28-23(19)33/h1-3,5-8,12-13,19,26H,4,9-11H2,(H,27,30)(H,28,31,33)
InChIKeySGTQONJZISQFNG-UHFFFAOYSA-N
XLogP2.38
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.91
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-(3-oxo-4-phenylbutyl)anilino]pyrrole-2,5-dione
CID 164985332
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
tert-butyl N-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]methyl]-N-methylcarbamate
CID 168803116
3-[3-(3-chloro-4-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 146628561
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-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
3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 165005672
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
3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
CID 165002748
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide
CID 155292086

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide (CID 146627956) is N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide is O=C1CCC(N2C(=O)C=C(Nc3cccc(CCC(=O)Nc4ccc(Cl)cc4)c3)C2=O)C(=O)N1.
What is the InChIKey of N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide?
The InChIKey is SGTQONJZISQFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O5/c25-15-5-7-16(8-6-15)27-20(30)10-4-14-2-1-3-17(12-14)26-18-13-22(32)29(24(18)34)19-9-11-21(31)28-23(19)33/h1-3,5-8,12-13,19,26H,4,9-11H2,(H,27,30)(H,28,31,33).
What are the key properties of N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide?
N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide has a molecular weight of 480.91 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide is sourced from PubChem (CID 146627956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).