1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea

C13H17ClN2O3 — CID 72902026

IUPAC1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea
SMILESCOc1cccc(NC(=O)NC2CCOCC2)c1Cl
InChIInChI=1S/C13H17ClN2O3/c1-18-11-4-2-3-10(12(11)14)16-13(17)15-9-5-7-19-8-6-9/h2-4,9H,5-8H2,1H3,(H2,15,16,17)
InChIKeyQADCZHXAKAJZBH-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.65
Rot. Bonds3

About 1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea

1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea (PubChem CID 72902026) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea
PubChem CID72902026
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea
SMILESCOc1cccc(NC(=O)NC2CCOCC2)c1Cl
InChIInChI=1S/C13H17ClN2O3/c1-18-11-4-2-3-10(12(11)14)16-13(17)15-9-5-7-19-8-6-9/h2-4,9H,5-8H2,1H3,(H2,15,16,17)
InChIKeyQADCZHXAKAJZBH-UHFFFAOYSA-N
XLogP2.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 115758945
1-[2-(4-methoxybenzoyl)phenyl]-3-(oxan-4-yl)urea
CID 110613356
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea
CID 122276523
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
1-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-(oxan-4-yl)urea
CID 110613966
1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 113322039
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
1-(2-chloro-5-iodophenyl)-3-(oxepan-4-yl)urea
CID 136520804

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea?
The IUPAC name of 1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea (CID 72902026) is 1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea?
The canonical SMILES for 1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea is COc1cccc(NC(=O)NC2CCOCC2)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea?
The InChIKey is QADCZHXAKAJZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-18-11-4-2-3-10(12(11)14)16-13(17)15-9-5-7-19-8-6-9/h2-4,9H,5-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea?
1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea has a molecular weight of 284.74 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea is sourced from PubChem (CID 72902026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).