ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate

C19H26FNO5 — CID 175187405

IUPACethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate
SMILESCCOC(=O)CC1Cc2cc(F)cc(C(C)NC(=O)OC(C)(C)C)c2O1
InChIInChI=1S/C19H26FNO5/c1-6-24-16(22)10-14-8-12-7-13(20)9-15(17(12)25-14)11(2)21-18(23)26-19(3,4)5/h7,9,11,14H,6,8,10H2,1-5H3,(H,21,23)
InChIKeyUZALUCPUPFAODW-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.67
Rot. Bonds5

About ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate

ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate (PubChem CID 175187405) has the molecular formula C19H26FNO5 and a molecular weight of 367.42 g/mol. Its IUPAC name is ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate
PubChem CID175187405
Molecular FormulaC19H26FNO5
Molecular Weight367.42 g/mol
Exact Mass367.18
IUPAC Nameethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate
SMILESCCOC(=O)CC1Cc2cc(F)cc(C(C)NC(=O)OC(C)(C)C)c2O1
InChIInChI=1S/C19H26FNO5/c1-6-24-16(22)10-14-8-12-7-13(20)9-15(17(12)25-14)11(2)21-18(23)26-19(3,4)5/h7,9,11,14H,6,8,10H2,1-5H3,(H,21,23)
InChIKeyUZALUCPUPFAODW-UHFFFAOYSA-N
XLogP3.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate with MolForge

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Related Compounds

tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate
CID 118337488
tert-butyl N-[(1R)-1-(3-bromo-2,5-difluorophenyl)ethyl]carbamate
CID 162452517
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990
[(1R)-1-[2-(2-azidoethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]ethyl] N-tert-butylcarbamate
CID 155318770
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-chromen-2-yl]acetate
CID 10854265
tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate
CID 130495163
ethyl 2,2-difluoro-2-[2-fluoro-3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]acetate
CID 166073220
ethyl (3S,4S)-5-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 58672650
5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-benzofuran-7-carboxylic acid
CID 174222257
ethyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
CID 59421483
ethyl 3-(5-bromo-2-fluoro-3-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 170000439

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate?
The IUPAC name of ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate (CID 175187405) is ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate is CCOC(=O)CC1Cc2cc(F)cc(C(C)NC(=O)OC(C)(C)C)c2O1.
What is the InChIKey of ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate?
The InChIKey is UZALUCPUPFAODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO5/c1-6-24-16(22)10-14-8-12-7-13(20)9-15(17(12)25-14)11(2)21-18(23)26-19(3,4)5/h7,9,11,14H,6,8,10H2,1-5H3,(H,21,23).
What are the key properties of ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate?
ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate has a molecular weight of 367.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-yl]acetate is sourced from PubChem (CID 175187405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).