1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea

C17H18F2N2O2 — CID 112976199

IUPAC1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)NCCOc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2N2O2/c1-11-7-12(2)9-14(8-11)21-17(22)20-5-6-23-16-4-3-13(18)10-15(16)19/h3-4,7-10H,5-6H2,1-2H3,(H2,20,21,22)
InChIKeyOBPJBFPTGKCZRU-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.78
Rot. Bonds5

About 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea

1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea (PubChem CID 112976199) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
PubChem CID112976199
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)NCCOc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2N2O2/c1-11-7-12(2)9-14(8-11)21-17(22)20-5-6-23-16-4-3-13(18)10-15(16)19/h3-4,7-10H,5-6H2,1-2H3,(H2,20,21,22)
InChIKeyOBPJBFPTGKCZRU-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.78
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-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976270
1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112971083
1-(3,5-dimethylphenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975337
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
CID 111337429
1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112976139
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112977055
1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974631
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea (CID 112976199) is 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)NCCOc2ccc(F)cc2F)c1.
What is the InChIKey of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea?
The InChIKey is OBPJBFPTGKCZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-11-7-12(2)9-14(8-11)21-17(22)20-5-6-23-16-4-3-13(18)10-15(16)19/h3-4,7-10H,5-6H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea?
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea has a molecular weight of 320.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 112976199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).