1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea

C24H28ClN5O5 — CID 146666503

IUPAC1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea
SMILESCc1ccc(NC(=O)NCC2CCCC(NC3=CC(=O)N(C4CCC(=O)NC4=O)C3=O)C2)cc1Cl
InChIInChI=1S/C24H28ClN5O5/c1-13-5-6-16(10-17(13)25)28-24(35)26-12-14-3-2-4-15(9-14)27-18-11-21(32)30(23(18)34)19-7-8-20(31)29-22(19)33/h5-6,10-11,14-15,19,27H,2-4,7-9,12H2,1H3,(H2,26,28,35)(H,29,31,33)
InChIKeyDDFZUUSYZJCURJ-UHFFFAOYSA-N
MW501.97 g/mol
LogP1.98
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea

1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea (PubChem CID 146666503) has the molecular formula C24H28ClN5O5 and a molecular weight of 501.97 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea
PubChem CID146666503
Molecular FormulaC24H28ClN5O5
Molecular Weight501.97 g/mol
Exact Mass501.18
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea
SMILESCc1ccc(NC(=O)NCC2CCCC(NC3=CC(=O)N(C4CCC(=O)NC4=O)C3=O)C2)cc1Cl
InChIInChI=1S/C24H28ClN5O5/c1-13-5-6-16(10-17(13)25)28-24(35)26-12-14-3-2-4-15(9-14)27-18-11-21(32)30(23(18)34)19-7-8-20(31)29-22(19)33/h5-6,10-11,14-15,19,27H,2-4,7-9,12H2,1H3,(H2,26,28,35)(H,29,31,33)
InChIKeyDDFZUUSYZJCURJ-UHFFFAOYSA-N
XLogP1.98
TPSA136.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.97
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea with MolForge

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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-[[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-2,5-dioxopyrrol-3-yl]oxyphenyl]methyl]urea
CID 167099940
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-(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-[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-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 121225589
1-(3-chloro-4-methylphenyl)-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]methyl]urea
CID 135291349
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-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]sulfanyl]ethyl]urea
CID 155665320
1-(3-chloro-4-methylphenyl)-3-[2-[2-(2,7-dioxoazepan-3-yl)-1-oxo-3H-isoindol-5-yl]ethyl]urea
CID 135326104
1-(3-chloro-4-methylphenyl)-3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]butyl]urea
CID 146479979

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea (CID 146666503) is 1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea is Cc1ccc(NC(=O)NCC2CCCC(NC3=CC(=O)N(C4CCC(=O)NC4=O)C3=O)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea?
The InChIKey is DDFZUUSYZJCURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O5/c1-13-5-6-16(10-17(13)25)28-24(35)26-12-14-3-2-4-15(9-14)27-18-11-21(32)30(23(18)34)19-7-8-20(31)29-22(19)33/h5-6,10-11,14-15,19,27H,2-4,7-9,12H2,1H3,(H2,26,28,35)(H,29,31,33).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea?
1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea has a molecular weight of 501.97 g/mol, XLogP of 1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]cyclohexyl]methyl]urea is sourced from PubChem (CID 146666503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).