benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid

C23H20FNO3 — CID 68964344

IUPACbenzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid
SMILESO=C(O)N(Cc1ccccc1)CC1Cc2cccc(-c3ccccc3F)c2O1
InChIInChI=1S/C23H20FNO3/c24-21-12-5-4-10-19(21)20-11-6-9-17-13-18(28-22(17)20)15-25(23(26)27)14-16-7-2-1-3-8-16/h1-12,18H,13-15H2,(H,26,27)
InChIKeyIYYOUXNVNSSWGK-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.98
Rot. Bonds5

About benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid

benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid (PubChem CID 68964344) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid
PubChem CID68964344
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Namebenzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid
SMILESO=C(O)N(Cc1ccccc1)CC1Cc2cccc(-c3ccccc3F)c2O1
InChIInChI=1S/C23H20FNO3/c24-21-12-5-4-10-19(21)20-11-6-9-17-13-18(28-22(17)20)15-25(23(26)27)14-16-7-2-1-3-8-16/h1-12,18H,13-15H2,(H,26,27)
InChIKeyIYYOUXNVNSSWGK-UHFFFAOYSA-N
XLogP4.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid?
The IUPAC name of benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid (CID 68964344) is benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid.
What is the SMILES notation for benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid?
The canonical SMILES for benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid is O=C(O)N(Cc1ccccc1)CC1Cc2cccc(-c3ccccc3F)c2O1.
What is the InChIKey of benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid?
The InChIKey is IYYOUXNVNSSWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c24-21-12-5-4-10-19(21)20-11-6-9-17-13-18(28-22(17)20)15-25(23(26)27)14-16-7-2-1-3-8-16/h1-12,18H,13-15H2,(H,26,27).
What are the key properties of benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid?
benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid has a molecular weight of 377.42 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid is sourced from PubChem (CID 68964344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).