[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate

C23H19ClFNO3 — CID 91347444

IUPAC[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OC1Cc2cc(F)cc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C23H19ClFNO3/c1-26(14-15-7-3-2-4-8-15)23(27)29-21-12-16-11-17(25)13-19(22(16)28-21)18-9-5-6-10-20(18)24/h2-11,13,21H,12,14H2,1H3
InChIKeyTXPZMRFGOCXGAP-UHFFFAOYSA-N
MW411.86 g/mol
LogP5.68
Rot. Bonds4

About [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate

[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate (PubChem CID 91347444) has the molecular formula C23H19ClFNO3 and a molecular weight of 411.86 g/mol. Its IUPAC name is [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Name[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate
PubChem CID91347444
Molecular FormulaC23H19ClFNO3
Molecular Weight411.86 g/mol
Exact Mass411.10
IUPAC Name[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OC1Cc2cc(F)cc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C23H19ClFNO3/c1-26(14-15-7-3-2-4-8-15)23(27)29-21-12-16-11-17(25)13-19(22(16)28-21)18-9-5-6-10-20(18)24/h2-11,13,21H,12,14H2,1H3
InChIKeyTXPZMRFGOCXGAP-UHFFFAOYSA-N
XLogP5.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.86
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl N-benzyl-N-methylcarbamate
CID 91158705
(7-tert-butyl-5-methoxy-2,3-dihydro-1-benzofuran-2-yl) N-benzyl-N-methylcarbamate
CID 91276770
(3-oxocyclobutyl) N-benzyl-N-methylcarbamate
CID 176797150
benzyl-[[7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid
CID 69108251
N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 11959892
fluoro N-benzyl-N-methylcarbamate
CID 144758254
N-benzyl-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51175347
[5-chloro-7-(2,5-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl-(2-phenylethyl)carbamic acid
CID 69108367
[4-(2-chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methyl 4-methylbenzenesulfonate
CID 86608724
[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl] N-benzylcarbamate
CID 91531257
N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
CID 69262092
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 46636397

Frequently Asked Questions

What is the IUPAC name of [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate?
The IUPAC name of [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate (CID 91347444) is [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate.
What is the SMILES notation for [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate?
The canonical SMILES for [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)OC1Cc2cc(F)cc(-c3ccccc3Cl)c2O1.
What is the InChIKey of [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate?
The InChIKey is TXPZMRFGOCXGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFNO3/c1-26(14-15-7-3-2-4-8-15)23(27)29-21-12-16-11-17(25)13-19(22(16)28-21)18-9-5-6-10-20(18)24/h2-11,13,21H,12,14H2,1H3.
What are the key properties of [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate?
[7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate has a molecular weight of 411.86 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl] N-benzyl-N-methylcarbamate is sourced from PubChem (CID 91347444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).