3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea

C14H12Cl2N2O2 — CID 14459171

IUPAC3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea
SMILESCN(C(=O)NOc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H12Cl2N2O2/c1-18(12-5-3-2-4-6-12)14(19)17-20-13-8-10(15)7-11(16)9-13/h2-9H,1H3,(H,17,19)
InChIKeyLZVWIKCTOIDYNZ-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.13
Rot. Bonds3

About 3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea

3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea (PubChem CID 14459171) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea
PubChem CID14459171
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea
SMILESCN(C(=O)NOc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H12Cl2N2O2/c1-18(12-5-3-2-4-6-12)14(19)17-20-13-8-10(15)7-11(16)9-13/h2-9H,1H3,(H,17,19)
InChIKeyLZVWIKCTOIDYNZ-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-methyl-N-phenylbenzamide;ethane
CID 156791859
3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea
CID 108879857
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-methyl-1-phenylurea
CID 108877992
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methyl-1-phenylurea
CID 108991173
3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea
CID 88799213
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299
1-methyl-3-nitroso-1-phenylurea
CID 21116436
3-ethenyl-1-methyl-1-phenylurea
CID 108909168
3,5-dichloro-N-[4-(N-methylanilino)phenyl]benzamide
CID 22886497
2-chloro-4-[[methyl(phenyl)carbamoyl]amino]benzoic acid
CID 61398621
N-(4-aminophenyl)-2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea?
The IUPAC name of 3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea (CID 14459171) is 3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea.
What is the SMILES notation for 3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea?
The canonical SMILES for 3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea is CN(C(=O)NOc1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea?
The InChIKey is LZVWIKCTOIDYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-18(12-5-3-2-4-6-12)14(19)17-20-13-8-10(15)7-11(16)9-13/h2-9H,1H3,(H,17,19).
What are the key properties of 3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea?
3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea has a molecular weight of 311.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea is sourced from PubChem (CID 14459171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).