1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea

C15H19ClN2O3 — CID 112729526

IUPAC1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
SMILESO=C(Nc1ccccc1Cl)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19ClN2O3/c16-12-3-1-2-4-13(12)18-14(19)17-11-5-7-15(8-6-11)20-9-10-21-15/h1-4,11H,5-10H2,(H2,17,18,19)
InChIKeyQYOHYMQYGFOIQS-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.15
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea

1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea (PubChem CID 112729526) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
PubChem CID112729526
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
SMILESO=C(Nc1ccccc1Cl)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19ClN2O3/c16-12-3-1-2-4-13(12)18-14(19)17-11-5-7-15(8-6-11)20-9-10-21-15/h1-4,11H,5-10H2,(H2,17,18,19)
InChIKeyQYOHYMQYGFOIQS-UHFFFAOYSA-N
XLogP3.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea (CID 112729526) is 1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea is O=C(Nc1ccccc1Cl)NC1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea?
The InChIKey is QYOHYMQYGFOIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-12-3-1-2-4-13(12)18-14(19)17-11-5-7-15(8-6-11)20-9-10-21-15/h1-4,11H,5-10H2,(H2,17,18,19).
What are the key properties of 1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea?
1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea has a molecular weight of 310.78 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea is sourced from PubChem (CID 112729526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).