1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea

C19H23FN2O2 — CID 52743862

IUPAC1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESCc1cc(C)cc(OCCNC(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C19H23FN2O2/c1-14-11-15(2)13-17(12-14)24-10-9-22-19(23)21-8-7-16-5-3-4-6-18(16)20/h3-6,11-13H,7-10H2,1-2H3,(H2,21,22,23)
InChIKeyAPAFAIBBAFXULN-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.36
Rot. Bonds7

About 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea

1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 52743862) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID52743862
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESCc1cc(C)cc(OCCNC(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C19H23FN2O2/c1-14-11-15(2)13-17(12-14)24-10-9-22-19(23)21-8-7-16-5-3-4-6-18(16)20/h3-6,11-13H,7-10H2,1-2H3,(H2,21,22,23)
InChIKeyAPAFAIBBAFXULN-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea (CID 52743862) is 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea is Cc1cc(C)cc(OCCNC(=O)NCCc2ccccc2F)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is APAFAIBBAFXULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-11-15(2)13-17(12-14)24-10-9-22-19(23)21-8-7-16-5-3-4-6-18(16)20/h3-6,11-13H,7-10H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 330.40 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 52743862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).