1-(3-chloro-4-methoxyphenyl)-3-methylurea

C9H11ClN2O2 — CID 30250

IUPAC1-(3-chloro-4-methoxyphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C9H11ClN2O2/c1-11-9(13)12-6-3-4-8(14-2)7(10)5-6/h3-5H,1-2H3,(H2,11,12,13)
InChIKeyYWHRNWZTCCNWSH-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.10
Rot. Bonds2

About 1-(3-chloro-4-methoxyphenyl)-3-methylurea

1-(3-chloro-4-methoxyphenyl)-3-methylurea (PubChem CID 30250) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-methylurea
PubChem CID30250
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C9H11ClN2O2/c1-11-9(13)12-6-3-4-8(14-2)7(10)5-6/h3-5H,1-2H3,(H2,11,12,13)
InChIKeyYWHRNWZTCCNWSH-UHFFFAOYSA-N
XLogP2.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-methylurea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-methylurea (CID 30250) is 1-(3-chloro-4-methoxyphenyl)-3-methylurea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-methylurea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-methylurea is CNC(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-methylurea?
The InChIKey is YWHRNWZTCCNWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-11-9(13)12-6-3-4-8(14-2)7(10)5-6/h3-5H,1-2H3,(H2,11,12,13).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-methylurea?
1-(3-chloro-4-methoxyphenyl)-3-methylurea has a molecular weight of 214.65 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-methylurea is sourced from PubChem (CID 30250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).