1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea

C15H15ClN2O2 — CID 727824

IUPAC1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-6-7-12(9-14(10)16)18-15(19)17-11-4-3-5-13(8-11)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyYOQXDCNOLMTJQX-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.30
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea

1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea (PubChem CID 727824) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea
PubChem CID727824
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-6-7-12(9-14(10)16)18-15(19)17-11-4-3-5-13(8-11)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyYOQXDCNOLMTJQX-UHFFFAOYSA-N
XLogP4.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.30
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-methylphenyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea (CID 727824) is 1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea?
The InChIKey is YOQXDCNOLMTJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-6-7-12(9-14(10)16)18-15(19)17-11-4-3-5-13(8-11)20-2/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea?
1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea has a molecular weight of 290.75 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 727824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).