1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea

C13H19FN2O3 — CID 111336857

IUPAC1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
SMILESCCOc1cc(F)ccc1NC(=O)NCCC(C)O
InChIInChI=1S/C13H19FN2O3/c1-3-19-12-8-10(14)4-5-11(12)16-13(18)15-7-6-9(2)17/h4-5,8-9,17H,3,6-7H2,1-2H3,(H2,15,16,18)
InChIKeyAQLPZQHVBSGUED-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.12
Rot. Bonds6

About 1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea

1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea (PubChem CID 111336857) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
PubChem CID111336857
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
SMILESCCOc1cc(F)ccc1NC(=O)NCCC(C)O
InChIInChI=1S/C13H19FN2O3/c1-3-19-12-8-10(14)4-5-11(12)16-13(18)15-7-6-9(2)17/h4-5,8-9,17H,3,6-7H2,1-2H3,(H2,15,16,18)
InChIKeyAQLPZQHVBSGUED-UHFFFAOYSA-N
XLogP2.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
CID 111336863
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
1-(2-ethoxy-4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110896211
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 87006078
2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
CID 119286704
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
CID 82851234
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
CID 111337429

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea (CID 111336857) is 1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea is CCOc1cc(F)ccc1NC(=O)NCCC(C)O.
What is the InChIKey of 1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea?
The InChIKey is AQLPZQHVBSGUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-3-19-12-8-10(14)4-5-11(12)16-13(18)15-7-6-9(2)17/h4-5,8-9,17H,3,6-7H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea?
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea has a molecular weight of 270.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111336857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).