1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea

C14H17ClN2O3 — CID 108913085

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC=C1CCOCC1
InChIInChI=1S/C14H17ClN2O3/c1-19-13-3-2-11(15)8-12(13)17-14(18)16-9-10-4-6-20-7-5-10/h2-3,8-9H,4-7H2,1H3,(H2,16,17,18)
InChIKeyKGBKRYVQUWJEDQ-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.16
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913085) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913085
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC=C1CCOCC1
InChIInChI=1S/C14H17ClN2O3/c1-19-13-3-2-11(15)8-12(13)17-14(18)16-9-10-4-6-20-7-5-10/h2-3,8-9H,4-7H2,1H3,(H2,16,17,18)
InChIKeyKGBKRYVQUWJEDQ-UHFFFAOYSA-N
XLogP3.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914204
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907198
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302630
2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61184240
1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
CID 971253
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea (CID 108913085) is 1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea is COc1ccc(Cl)cc1NC(=O)NC=C1CCOCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is KGBKRYVQUWJEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-19-13-3-2-11(15)8-12(13)17-14(18)16-9-10-4-6-20-7-5-10/h2-3,8-9H,4-7H2,1H3,(H2,16,17,18).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 296.75 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).