3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea

C15H15ClN2O2 — CID 16115

IUPAC3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)
InChIKeyIVUXTESCPZUGJC-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.23
Rot. Bonds3

About 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea

3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea (PubChem CID 16115) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea
PubChem CID16115
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)
InChIKeyIVUXTESCPZUGJC-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea (CID 16115) is 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea is CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea?
The InChIKey is IVUXTESCPZUGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19).
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea?
3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea has a molecular weight of 290.75 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea is sourced from PubChem (CID 16115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).