3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea

C15H15ClN2O2 — CID 19858561

IUPAC3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-8-4-6-10-14(12)20-13-9-5-3-7-11(13)16/h3-10H,1-2H3,(H,17,19)
InChIKeyURVRDFMTFOGRSP-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.23
Rot. Bonds3

About 3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea

3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea (PubChem CID 19858561) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea
PubChem CID19858561
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-8-4-6-10-14(12)20-13-9-5-3-7-11(13)16/h3-10H,1-2H3,(H,17,19)
InChIKeyURVRDFMTFOGRSP-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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Related Compounds

3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
3-(3-chloro-4-ethylphenyl)-1,1-dimethylurea;3-[2-(4-chlorophenoxy)phenyl]-1,1-dimethylurea
CID 21298998
N-[2-(2-chlorophenoxy)phenyl]cyclohexanecarboxamide
CID 18279329
4-chloro-N-[2-(2-chlorophenoxy)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 37348272
N-[2-(2-chlorophenoxy)phenyl]furan-2-carboxamide
CID 17468939
N-[2-(2-chlorophenoxy)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 16568471
N-[2-[2-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62502106
2-(4-acetylphenoxy)-N-[2-(2-chlorophenoxy)phenyl]acetamide
CID 26764312
N-[2-(2-chlorophenoxy)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 86912166
2-[2-(2-chlorophenoxy)anilino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35822670
N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 24514263
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 26764102

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea (CID 19858561) is 3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea is CN(C)C(=O)Nc1ccccc1Oc1ccccc1Cl.
What is the InChIKey of 3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea?
The InChIKey is URVRDFMTFOGRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-8-4-6-10-14(12)20-13-9-5-3-7-11(13)16/h3-10H,1-2H3,(H,17,19).
What are the key properties of 3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea?
3-[2-(2-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-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea is sourced from PubChem (CID 19858561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).