1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea

C23H24F2N4O3 — CID 170155759

IUPAC1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea
SMILESCc1cc(C)cc(NC(=O)NC2CN(c3cc(F)c([C@H]4CCC(=O)NC4=O)c(F)c3)C2)c1
InChIInChI=1S/C23H24F2N4O3/c1-12-5-13(2)7-14(6-12)26-23(32)27-15-10-29(11-15)16-8-18(24)21(19(25)9-16)17-3-4-20(30)28-22(17)31/h5-9,15,17H,3-4,10-11H2,1-2H3,(H2,26,27,32)(H,28,30,31)/t17-/m1/s1
InChIKeyGYFVLBLBYCWVJL-QGZVFWFLSA-N
MW442.47 g/mol
LogP3.11
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea

1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea (PubChem CID 170155759) has the molecular formula C23H24F2N4O3 and a molecular weight of 442.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea
PubChem CID170155759
Molecular FormulaC23H24F2N4O3
Molecular Weight442.47 g/mol
Exact Mass442.18
IUPAC Name1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea
SMILESCc1cc(C)cc(NC(=O)NC2CN(c3cc(F)c([C@H]4CCC(=O)NC4=O)c(F)c3)C2)c1
InChIInChI=1S/C23H24F2N4O3/c1-12-5-13(2)7-14(6-12)26-23(32)27-15-10-29(11-15)16-8-18(24)21(19(25)9-16)17-3-4-20(30)28-22(17)31/h5-9,15,17H,3-4,10-11H2,1-2H3,(H2,26,27,32)(H,28,30,31)/t17-/m1/s1
InChIKeyGYFVLBLBYCWVJL-QGZVFWFLSA-N
XLogP3.11
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
CID 170156101
[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl] N-cyclopropylcarbamate
CID 170155051
2-methylpentyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541076
piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 176869474
[1-[cyclopropyl(methyl)carbamoyl]azetidin-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541012
1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
CID 170155963
[1-(3-methyl-2-pyridinyl)azetidin-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541146
1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]pyrrolidine-3-carboxylic acid
CID 170107094
butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
CID 172617426
[(E)-1-cyclopropylhex-3-en-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-N'-methylcarbamimidate
CID 171540940
3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 172616861
[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-(2-methylsulfanylethyl)carbamic acid
CID 170173051

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea (CID 170155759) is 1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea is Cc1cc(C)cc(NC(=O)NC2CN(c3cc(F)c([C@H]4CCC(=O)NC4=O)c(F)c3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea?
The InChIKey is GYFVLBLBYCWVJL-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24F2N4O3/c1-12-5-13(2)7-14(6-12)26-23(32)27-15-10-29(11-15)16-8-18(24)21(19(25)9-16)17-3-4-20(30)28-22(17)31/h5-9,15,17H,3-4,10-11H2,1-2H3,(H2,26,27,32)(H,28,30,31)/t17-/m1/s1.
What are the key properties of 1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea?
1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea has a molecular weight of 442.47 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea is sourced from PubChem (CID 170155759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).