1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea

C14H13ClN2O2 — CID 730368

IUPAC1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O2/c1-19-13-4-2-3-12(9-13)17-14(18)16-11-7-5-10(15)6-8-11/h2-9H,1H3,(H2,16,17,18)
InChIKeyJSODWGRUZQBMNK-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.99
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea

1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea (PubChem CID 730368) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea
PubChem CID730368
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O2/c1-19-13-4-2-3-12(9-13)17-14(18)16-11-7-5-10(15)6-8-11/h2-9H,1H3,(H2,16,17,18)
InChIKeyJSODWGRUZQBMNK-UHFFFAOYSA-N
XLogP3.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea (CID 730368) is 1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea?
The InChIKey is JSODWGRUZQBMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-13-4-2-3-12(9-13)17-14(18)16-11-7-5-10(15)6-8-11/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea?
1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea has a molecular weight of 276.72 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 730368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).