1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea

C15H14Cl2N2O3 — CID 108880965

IUPAC1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O3/c1-21-12-4-2-3-11(8-12)19-15(20)18-9-22-14-6-5-10(16)7-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyMAIBORZRPXLVSP-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.16
Rot. Bonds5

About 1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea

1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea (PubChem CID 108880965) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea
PubChem CID108880965
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Name1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O3/c1-21-12-4-2-3-11(8-12)19-15(20)18-9-22-14-6-5-10(16)7-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyMAIBORZRPXLVSP-UHFFFAOYSA-N
XLogP4.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea
CID 108880828
3-[(2,4-dichlorophenoxy)methylcarbamoylamino]benzoic acid
CID 108880826
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108880887
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxyphenyl)urea
CID 108880931
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108881068
1-tert-butyl-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880884
1-[2-(2,4-dichlorophenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 8615071
1-[3-(3-chlorophenyl)prop-2-ynyl]-3-(3-methoxyphenyl)urea
CID 90552806

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea (CID 108880965) is 1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NCOc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea?
The InChIKey is MAIBORZRPXLVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-21-12-4-2-3-11(8-12)19-15(20)18-9-22-14-6-5-10(16)7-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea?
1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea has a molecular weight of 341.19 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 108880965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).