1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea

C14H21FN2O2 — CID 112970219

IUPAC1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCOc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-2-3-6-9-16-14(18)17-10-11-19-13-8-5-4-7-12(13)15/h4-5,7-8H,2-3,6,9-11H2,1H3,(H2,16,17,18)
InChIKeyCLXIKAGBEYEWEY-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.69
Rot. Bonds8

About 1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea

1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea (PubChem CID 112970219) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea
PubChem CID112970219
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCOc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-2-3-6-9-16-14(18)17-10-11-19-13-8-5-4-7-12(13)15/h4-5,7-8H,2-3,6,9-11H2,1H3,(H2,16,17,18)
InChIKeyCLXIKAGBEYEWEY-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.69
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-(2,3-dimethylphenoxy)ethyl]-3-pentylurea
CID 112973846
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 112970190
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975433
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea (CID 112970219) is 1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea is CCCCCNC(=O)NCCOc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea?
The InChIKey is CLXIKAGBEYEWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-2-3-6-9-16-14(18)17-10-11-19-13-8-5-4-7-12(13)15/h4-5,7-8H,2-3,6,9-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea?
1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea has a molecular weight of 268.33 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea is sourced from PubChem (CID 112970219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).