1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea

C17H15F3N2O2 — CID 2742253

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1ccc2c(c1)CCO2)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)13-2-1-3-14(9-13)22-16(23)21-10-11-4-5-15-12(8-11)6-7-24-15/h1-5,8-9H,6-7,10H2,(H2,21,22,23)
InChIKeySOFALQUFZULUNT-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.96
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 2742253) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID2742253
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1ccc2c(c1)CCO2)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)13-2-1-3-14(9-13)22-16(23)21-10-11-4-5-15-12(8-11)6-7-24-15/h1-5,8-9H,6-7,10H2,(H2,21,22,23)
InChIKeySOFALQUFZULUNT-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 2742253) is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCc1ccc2c(c1)CCO2)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is SOFALQUFZULUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-17(19,20)13-2-1-3-14(9-13)22-16(23)21-10-11-4-5-15-12(8-11)6-7-24-15/h1-5,8-9H,6-7,10H2,(H2,21,22,23).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 336.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2742253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).