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

C12H17FN2O2 — CID 47133652

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCc1ccccc1F
InChIInChI=1S/C12H17FN2O2/c1-17-9-8-15-12(16)14-7-6-10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3,(H2,14,15,16)
InChIKeyLJUGPZLUMLRJAS-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.31
Rot. Bonds6

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

1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea (PubChem CID 47133652) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea
PubChem CID47133652
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCc1ccccc1F
InChIInChI=1S/C12H17FN2O2/c1-17-9-8-15-12(16)14-7-6-10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3,(H2,14,15,16)
InChIKeyLJUGPZLUMLRJAS-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.31
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

N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
N-(tert-butyl)-N'-phenethylurea
CID 306674
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxypropyl)thiourea
CID 2171093
1-Butan-2-yl-3-(3-phenylpropyl)urea
CID 45366530
1-[(2S)-butan-2-yl]-3-(3-phenylpropyl)urea
CID 93534208
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
3,3-Dimethyl-1-(2-phenylethyl)urea
CID 12441924
2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 2163005
Ethyl 2-acetamido-3,3,3-trifluoro-2-(phenethylamino)propanoate
CID 2817882
Ethyl 2-acetamido-3,3,3-trifluoro-2-[2-(2-fluorophenyl)ethylamino]propanoate
CID 3697926
Ethyl (1,1,1,3,3,3-hexafluoro-2-(phenethylamino)propan-2-yl)carbamate
CID 1898034
Urea, 1-ethyl-3-phenethyl-
CID 3051652

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea (CID 47133652) is 1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCCc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea?
The InChIKey is LJUGPZLUMLRJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-17-9-8-15-12(16)14-7-6-10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea?
1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea has a molecular weight of 240.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47133652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).