1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea

C13H18F2N2O3 — CID 111337429

IUPAC1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCCOc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O3/c1-9(18)4-5-16-13(19)17-6-7-20-12-3-2-10(14)8-11(12)15/h2-3,8-9,18H,4-7H2,1H3,(H2,16,17,19)
InChIKeyUFSUCUNJNZJXII-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.41
Rot. Bonds7

About 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea

1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea (PubChem CID 111337429) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
PubChem CID111337429
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCCOc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O3/c1-9(18)4-5-16-13(19)17-6-7-20-12-3-2-10(14)8-11(12)15/h2-3,8-9,18H,4-7H2,1H3,(H2,16,17,19)
InChIKeyUFSUCUNJNZJXII-UHFFFAOYSA-N
XLogP1.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,4-difluorophenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111480845
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112976199
1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112976139
1-(3-hydroxybutyl)-3-[2-(2-phenylphenoxy)ethyl]urea
CID 111337309
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976270
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide
CID 113102340
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-difluorophenoxy)ethyl]urea
CID 112976126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea (CID 111337429) is 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NCCOc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea?
The InChIKey is UFSUCUNJNZJXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-9(18)4-5-16-13(19)17-6-7-20-12-3-2-10(14)8-11(12)15/h2-3,8-9,18H,4-7H2,1H3,(H2,16,17,19).
What are the key properties of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea?
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea has a molecular weight of 288.29 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111337429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).