1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea

C14H19FN2O2 — CID 110469859

IUPAC1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1(c2ccccc2F)CCC1
InChIInChI=1S/C14H19FN2O2/c1-19-10-9-16-13(18)17-14(7-4-8-14)11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H2,16,17,18)
InChIKeyFITATOBCTISLHA-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.15
Rot. Bonds5

About 1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea

1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea (PubChem CID 110469859) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea
PubChem CID110469859
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1(c2ccccc2F)CCC1
InChIInChI=1S/C14H19FN2O2/c1-19-10-9-16-13(18)17-14(7-4-8-14)11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H2,16,17,18)
InChIKeyFITATOBCTISLHA-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.15
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-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110490666
1-tert-butyl-3-[1-(2-fluorophenyl)cyclopentyl]urea
CID 110469941
1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
CID 110676480
1-(2-fluorophenyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 110438277
2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110444138
N-[1-(2-fluorophenyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide
CID 110440158
1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea
CID 110469652
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459
N-[1-(2-fluorophenyl)cyclobutyl]pyrrolidine-1-carboxamide
CID 110469855
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47329826
2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110445767

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea (CID 110469859) is 1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NC1(c2ccccc2F)CCC1.
What is the InChIKey of 1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea?
The InChIKey is FITATOBCTISLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-10-9-16-13(18)17-14(7-4-8-14)11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H2,16,17,18).
What are the key properties of 1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea?
1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea has a molecular weight of 266.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 110469859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).