1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea

C16H16N2O2 — CID 110874643

IUPAC1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea
SMILESO=C(NCc1ccccc1)Nc1cccc2c1OCC2
InChIInChI=1S/C16H16N2O2/c19-16(17-11-12-5-2-1-3-6-12)18-14-8-4-7-13-9-10-20-15(13)14/h1-8H,9-11H2,(H2,17,18,19)
InChIKeyOVGVMOJKBRGKQN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.94
Rot. Bonds3

About 1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea

1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea (PubChem CID 110874643) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea
PubChem CID110874643
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea
SMILESO=C(NCc1ccccc1)Nc1cccc2c1OCC2
InChIInChI=1S/C16H16N2O2/c19-16(17-11-12-5-2-1-3-6-12)18-14-8-4-7-13-9-10-20-15(13)14/h1-8H,9-11H2,(H2,17,18,19)
InChIKeyOVGVMOJKBRGKQN-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110747359
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CID 51080430
1-(2-aminophenyl)-3-benzylurea
CID 86135193
3-(benzylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833448
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543221
1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 166246628
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
1-(2,3-dihydro-1-benzofuran-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 11209886
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CID 107654444

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea?
The IUPAC name of 1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea (CID 110874643) is 1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea.
What is the SMILES notation for 1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea?
The canonical SMILES for 1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea is O=C(NCc1ccccc1)Nc1cccc2c1OCC2.
What is the InChIKey of 1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea?
The InChIKey is OVGVMOJKBRGKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(17-11-12-5-2-1-3-6-12)18-14-8-4-7-13-9-10-20-15(13)14/h1-8H,9-11H2,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea?
1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea has a molecular weight of 268.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea is sourced from PubChem (CID 110874643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).