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

C13H19FN2O3 — CID 47237738

IUPAC1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
SMILESCCOc1cc(F)ccc1NC(=O)NCCCOC
InChIInChI=1S/C13H19FN2O3/c1-3-19-12-9-10(14)5-6-11(12)16-13(17)15-7-4-8-18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,16,17)
InChIKeyHVJNPCBIRBKMQG-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.38
Rot. Bonds7

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

1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea (PubChem CID 47237738) 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-methoxypropyl)urea.

Molecular Properties

Compound Name1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
PubChem CID47237738
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
SMILESCCOc1cc(F)ccc1NC(=O)NCCCOC
InChIInChI=1S/C13H19FN2O3/c1-3-19-12-9-10(14)5-6-11(12)16-13(17)15-7-4-8-18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,16,17)
InChIKeyHVJNPCBIRBKMQG-UHFFFAOYSA-N
XLogP2.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 47248250
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117
methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate
CID 78890634
1-(2-ethoxy-4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110896211

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea?
The IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea (CID 47237738) is 1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea is CCOc1cc(F)ccc1NC(=O)NCCCOC.
What is the InChIKey of 1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea?
The InChIKey is HVJNPCBIRBKMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-3-19-12-9-10(14)5-6-11(12)16-13(17)15-7-4-8-18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea?
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea has a molecular weight of 270.30 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea is sourced from PubChem (CID 47237738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).