1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea

C14H12Cl2N2O2 — CID 781617

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-13-7-4-10(16)8-12(13)18-14(19)17-11-5-2-9(15)3-6-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyIHEFDWCPADWMFL-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.65
Rot. Bonds3

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

1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea (PubChem CID 781617) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea
PubChem CID781617
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-13-7-4-10(16)8-12(13)18-14(19)17-11-5-2-9(15)3-6-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyIHEFDWCPADWMFL-UHFFFAOYSA-N
XLogP4.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea (CID 781617) is 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea is COc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea?
The InChIKey is IHEFDWCPADWMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-20-13-7-4-10(16)8-12(13)18-14(19)17-11-5-2-9(15)3-6-11/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)urea has a molecular weight of 311.17 g/mol, XLogP of 4.65, 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-(4-chlorophenyl)urea is sourced from PubChem (CID 781617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).