1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea

C17H17FN2O3 — CID 60544080

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1cccc2c1OCCO2
InChIInChI=1S/C17H17FN2O3/c18-13-6-4-12(5-7-13)8-9-19-17(21)20-14-2-1-3-15-16(14)23-11-10-22-15/h1-7H,8-11H2,(H2,19,20,21)
InChIKeyPZDUSEYEIVHPLG-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.96
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 60544080) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID60544080
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1cccc2c1OCCO2
InChIInChI=1S/C17H17FN2O3/c18-13-6-4-12(5-7-13)8-9-19-17(21)20-14-2-1-3-15-16(14)23-11-10-22-15/h1-7H,8-11H2,(H2,19,20,21)
InChIKeyPZDUSEYEIVHPLG-UHFFFAOYSA-N
XLogP2.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52772937
1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
CID 60545632
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[(4-fluorophenyl)methyl]propanamide
CID 94599222
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543221
2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide
CID 108902156
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-(2-bromophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 113217527
3-(1,3-benzodioxol-4-ylcarbamoylamino)propanoic acid
CID 122089295
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 24655179
1-[2-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 11762084
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 16574553

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea (CID 60544080) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea is O=C(NCCc1ccc(F)cc1)Nc1cccc2c1OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is PZDUSEYEIVHPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-13-6-4-12(5-7-13)8-9-19-17(21)20-14-2-1-3-15-16(14)23-11-10-22-15/h1-7H,8-11H2,(H2,19,20,21).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 316.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 60544080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).