1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea

C15H12Cl2F2N2O2 — CID 112976443

IUPAC1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
SMILESO=C(NCCOc1ccc(F)c(F)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2F2N2O2/c16-9-1-4-14(11(17)7-9)21-15(22)20-5-6-23-10-2-3-12(18)13(19)8-10/h1-4,7-8H,5-6H2,(H2,20,21,22)
InChIKeyRVBFXBNEMOOHJR-UHFFFAOYSA-N
MW361.18 g/mol
LogP4.47
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea

1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea (PubChem CID 112976443) has the molecular formula C15H12Cl2F2N2O2 and a molecular weight of 361.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
PubChem CID112976443
Molecular FormulaC15H12Cl2F2N2O2
Molecular Weight361.18 g/mol
Exact Mass360.02
IUPAC Name1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
SMILESO=C(NCCOc1ccc(F)c(F)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2F2N2O2/c16-9-1-4-14(11(17)7-9)21-15(22)20-5-6-23-10-2-3-12(18)13(19)8-10/h1-4,7-8H,5-6H2,(H2,20,21,22)
InChIKeyRVBFXBNEMOOHJR-UHFFFAOYSA-N
XLogP4.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976444
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112976455
1-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976389
1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 86807501
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005
1-(4-chloro-2-methylphenyl)-3-[2-(3,4-dimethylphenoxy)ethyl]urea
CID 112974174
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
CID 3314050
1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 112976375
1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973750
1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110019202
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea (CID 112976443) is 1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea is O=C(NCCOc1ccc(F)c(F)c1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea?
The InChIKey is RVBFXBNEMOOHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2N2O2/c16-9-1-4-14(11(17)7-9)21-15(22)20-5-6-23-10-2-3-12(18)13(19)8-10/h1-4,7-8H,5-6H2,(H2,20,21,22).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea?
1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea has a molecular weight of 361.18 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea is sourced from PubChem (CID 112976443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).