1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea

C14H12Cl2N2O2 — CID 853588

IUPAC1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-11-5-2-9(3-6-11)17-14(19)18-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19)
InChIKeyVMXUECFVYARUGP-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.65
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea

1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea (PubChem CID 853588) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea
PubChem CID853588
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-11-5-2-9(3-6-11)17-14(19)18-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19)
InChIKeyVMXUECFVYARUGP-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-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea (CID 853588) is 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea?
The InChIKey is VMXUECFVYARUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-20-11-5-2-9(3-6-11)17-14(19)18-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea?
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)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-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 853588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).