1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea

C22H23ClN4O3 — CID 170155963

IUPAC1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
SMILESCc1ccc(NC(=O)NC2CN(c3ccc([C@H]4CCC(=O)NC4=O)cc3)C2)cc1Cl
InChIInChI=1S/C22H23ClN4O3/c1-13-2-5-15(10-19(13)23)24-22(30)25-16-11-27(12-16)17-6-3-14(4-7-17)18-8-9-20(28)26-21(18)29/h2-7,10,16,18H,8-9,11-12H2,1H3,(H2,24,25,30)(H,26,28,29)/t18-/m1/s1
InChIKeyZQQBZIDHBDYWMA-GOSISDBHSA-N
MW426.90 g/mol
LogP3.18
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea

1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea (PubChem CID 170155963) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
PubChem CID170155963
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
SMILESCc1ccc(NC(=O)NC2CN(c3ccc([C@H]4CCC(=O)NC4=O)cc3)C2)cc1Cl
InChIInChI=1S/C22H23ClN4O3/c1-13-2-5-15(10-19(13)23)24-22(30)25-16-11-27(12-16)17-6-3-14(4-7-17)18-8-9-20(28)26-21(18)29/h2-7,10,16,18H,8-9,11-12H2,1H3,(H2,24,25,30)(H,26,28,29)/t18-/m1/s1
InChIKeyZQQBZIDHBDYWMA-GOSISDBHSA-N
XLogP3.18
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
CID 170156101
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea
CID 170155759
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea
CID 164563310
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
CID 63321445
1-(3-chloro-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876749
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836
(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 171063396
[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411
3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen
CID 178116591
1-(3,4-dichlorophenyl)-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543572

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea (CID 170155963) is 1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea is Cc1ccc(NC(=O)NC2CN(c3ccc([C@H]4CCC(=O)NC4=O)cc3)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea?
The InChIKey is ZQQBZIDHBDYWMA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-13-2-5-15(10-19(13)23)24-22(30)25-16-11-27(12-16)17-6-3-14(4-7-17)18-8-9-20(28)26-21(18)29/h2-7,10,16,18H,8-9,11-12H2,1H3,(H2,24,25,30)(H,26,28,29)/t18-/m1/s1.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea?
1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea has a molecular weight of 426.90 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea is sourced from PubChem (CID 170155963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).