1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea

C11H14F2N2O3 — CID 108894556

IUPAC1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
SMILESCOCCOCNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O3/c1-17-4-5-18-7-14-11(16)15-10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7H2,1H3,(H2,14,15,16)
InChIKeyHRGCLBMOIDRIHL-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.71
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea

1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea (PubChem CID 108894556) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
PubChem CID108894556
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
SMILESCOCCOCNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O3/c1-17-4-5-18-7-14-11(16)15-10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7H2,1H3,(H2,14,15,16)
InChIKeyHRGCLBMOIDRIHL-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea
CID 51100451
methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878987
1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea
CID 118069861
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 46457511
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250
1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea
CID 112971370
1-[(4-bromophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 60969569
1-N-(2,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133061
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea (CID 108894556) is 1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea is COCCOCNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea?
The InChIKey is HRGCLBMOIDRIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-17-4-5-18-7-14-11(16)15-10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea?
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea has a molecular weight of 260.24 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea is sourced from PubChem (CID 108894556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).