1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea

C23H26ClN3O2 — CID 166834836

IUPAC1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea
SMILESCc1ccccc1C(=O)N1CCC2(CC(NC(=O)NCc3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C23H26ClN3O2/c1-16-4-2-3-5-20(16)21(28)27-11-10-23(15-27)12-19(13-23)26-22(29)25-14-17-6-8-18(24)9-7-17/h2-9,19H,10-15H2,1H3,(H2,25,26,29)
InChIKeyLZNGWZMHUQHVTC-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.14
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea

1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea (PubChem CID 166834836) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea
PubChem CID166834836
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea
SMILESCc1ccccc1C(=O)N1CCC2(CC(NC(=O)NCc3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C23H26ClN3O2/c1-16-4-2-3-5-20(16)21(28)27-11-10-23(15-27)12-19(13-23)26-22(29)25-14-17-6-8-18(24)9-7-17/h2-9,19H,10-15H2,1H3,(H2,25,26,29)
InChIKeyLZNGWZMHUQHVTC-UHFFFAOYSA-N
XLogP4.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea with MolForge

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[6-(3-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea
CID 166834835
1-[(4-chlorophenyl)methyl]-3-[6-(4-piperidin-1-ylpiperidine-1-carbonyl)-6-azaspiro[3.4]octan-2-yl]urea
CID 168861974
N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2920836
[6-[(4-chlorophenyl)methylcarbamoylamino]spiro[3.3]heptan-2-yl]carbamic acid
CID 170319732
1-[(4-chlorophenyl)methyl]-3-(6-methylspiro[3.3]heptan-2-yl)urea
CID 170378931
tert-butyl 6-[(4-chlorophenyl)methylcarbamoylamino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166834913
(2R,3R)-5-(2-methylbenzoyl)-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493190
1-(6-acetylspiro[3.3]heptan-2-yl)-3-[(4-chlorophenyl)methyl]urea
CID 166834833
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide
CID 166834763
1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea
CID 110820264

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea (CID 166834836) is 1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea is Cc1ccccc1C(=O)N1CCC2(CC(NC(=O)NCc3ccc(Cl)cc3)C2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea?
The InChIKey is LZNGWZMHUQHVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-16-4-2-3-5-20(16)21(28)27-11-10-23(15-27)12-19(13-23)26-22(29)25-14-17-6-8-18(24)9-7-17/h2-9,19H,10-15H2,1H3,(H2,25,26,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea?
1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea has a molecular weight of 411.93 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[6-(2-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea is sourced from PubChem (CID 166834836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).