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

C14H21FN2O2 — CID 47237901

IUPAC1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
SMILESCCOc1cc(F)ccc1NC(=O)NCCC(C)C
InChIInChI=1S/C14H21FN2O2/c1-4-19-13-9-11(15)5-6-12(13)17-14(18)16-8-7-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17,18)
InChIKeyFRBQKGZOYWXEDJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.39
Rot. Bonds6

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

1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea (PubChem CID 47237901) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
PubChem CID47237901
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
SMILESCCOc1cc(F)ccc1NC(=O)NCCC(C)C
InChIInChI=1S/C14H21FN2O2/c1-4-19-13-9-11(15)5-6-12(13)17-14(18)16-8-7-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17,18)
InChIKeyFRBQKGZOYWXEDJ-UHFFFAOYSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
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-methoxyurea
CID 75415528
1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
CID 111336863
1-(2-ethoxy-4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110896211
2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
CID 119286704
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
CID 82851234
1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 87006078
1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 47248250
2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 47062079
1-(2-ethoxy-4-fluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754658

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea?
The IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea (CID 47237901) is 1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea?
The canonical SMILES for 1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea is CCOc1cc(F)ccc1NC(=O)NCCC(C)C.
What is the InChIKey of 1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea?
The InChIKey is FRBQKGZOYWXEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-19-13-9-11(15)5-6-12(13)17-14(18)16-8-7-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea?
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea has a molecular weight of 268.33 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea is sourced from PubChem (CID 47237901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).