1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea

C13H17ClN2O3 — CID 110359308

IUPAC1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
SMILESCC1(CCNC(=O)Nc2ccc(Cl)cc2)OCCO1
InChIInChI=1S/C13H17ClN2O3/c1-13(18-8-9-19-13)6-7-15-12(17)16-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H2,15,16,17)
InChIKeyOQIGNQSDODWYMA-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.61
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea (PubChem CID 110359308) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
PubChem CID110359308
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
SMILESCC1(CCNC(=O)Nc2ccc(Cl)cc2)OCCO1
InChIInChI=1S/C13H17ClN2O3/c1-13(18-8-9-19-13)6-7-15-12(17)16-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H2,15,16,17)
InChIKeyOQIGNQSDODWYMA-UHFFFAOYSA-N
XLogP2.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea (CID 110359308) is 1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea is CC1(CCNC(=O)Nc2ccc(Cl)cc2)OCCO1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
The InChIKey is OQIGNQSDODWYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-13(18-8-9-19-13)6-7-15-12(17)16-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea has a molecular weight of 284.74 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea is sourced from PubChem (CID 110359308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).