1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea

C11H13ClN2O2 — CID 108910159

IUPAC1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C11H13ClN2O2/c1-7(2)13-11(15)14-9-6-8(12)4-5-10(9)16-3/h4-6H,1H2,2-3H3,(H2,13,14,15)
InChIKeyAAPAOSRILHTBRS-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.00
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea

1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea (PubChem CID 108910159) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
PubChem CID108910159
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C11H13ClN2O2/c1-7(2)13-11(15)14-9-6-8(12)4-5-10(9)16-3/h4-6H,1H2,2-3H3,(H2,13,14,15)
InChIKeyAAPAOSRILHTBRS-UHFFFAOYSA-N
XLogP3.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914204
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
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
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CID 108875500

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea (CID 108910159) is 1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea is C=C(C)NC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea?
The InChIKey is AAPAOSRILHTBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7(2)13-11(15)14-9-6-8(12)4-5-10(9)16-3/h4-6H,1H2,2-3H3,(H2,13,14,15).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea?
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea has a molecular weight of 240.69 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).