N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C21H20FNO3 — CID 55903792

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCOc2ccc3c(c2)CCC3)oc2ccc(F)cc12
InChIInChI=1S/C21H20FNO3/c1-13-18-12-16(22)6-8-19(18)26-20(13)21(24)23-9-10-25-17-7-5-14-3-2-4-15(14)11-17/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,24)
InChIKeyUHVLDTYXGKUUII-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.18
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55903792) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55903792
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCOc2ccc3c(c2)CCC3)oc2ccc(F)cc12
InChIInChI=1S/C21H20FNO3/c1-13-18-12-16(22)6-8-19(18)26-20(13)21(24)23-9-10-25-17-7-5-14-3-2-4-15(14)11-17/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,24)
InChIKeyUHVLDTYXGKUUII-UHFFFAOYSA-N
XLogP4.18
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8935487
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468905
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide
CID 113101431
5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9080704
N-[2-(cyclohexen-1-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 27666383
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242438
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 9080530
5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 35345651
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100562896

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 55903792) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCOc2ccc3c(c2)CCC3)oc2ccc(F)cc12.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is UHVLDTYXGKUUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-13-18-12-16(22)6-8-19(18)26-20(13)21(24)23-9-10-25-17-7-5-14-3-2-4-15(14)11-17/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,24).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55903792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).