1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea

C12H16F2N2O2 — CID 47329826

IUPAC1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCc1c(F)cccc1F
InChIInChI=1S/C12H16F2N2O2/c1-18-8-7-16-12(17)15-6-5-9-10(13)3-2-4-11(9)14/h2-4H,5-8H2,1H3,(H2,15,16,17)
InChIKeyIWLOWFXHVHLVCR-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.45
Rot. Bonds6

About 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea

1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea (PubChem CID 47329826) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea
PubChem CID47329826
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCc1c(F)cccc1F
InChIInChI=1S/C12H16F2N2O2/c1-18-8-7-16-12(17)15-6-5-9-10(13)3-2-4-11(9)14/h2-4H,5-8H2,1H3,(H2,15,16,17)
InChIKeyIWLOWFXHVHLVCR-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.45
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-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 119722593
1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 60541307
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
1-[2-(2,6-difluorophenyl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 47066717
1-[2-(2,6-difluorophenyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110940029
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide
CID 78892562
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112683507
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea (CID 47329826) is 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCCc1c(F)cccc1F.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea?
The InChIKey is IWLOWFXHVHLVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-18-8-7-16-12(17)15-6-5-9-10(13)3-2-4-11(9)14/h2-4H,5-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea?
1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea has a molecular weight of 258.27 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47329826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).