N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

C22H20FNO4 — CID 86833145

IUPACN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NC2CCc3c(F)cccc32)o1
InChIInChI=1S/C22H20FNO4/c1-26-19-7-2-3-8-20(19)27-13-14-9-12-21(28-14)22(25)24-18-11-10-15-16(18)5-4-6-17(15)23/h2-9,12,18H,10-11,13H2,1H3,(H,24,25)
InChIKeyAIMACJOTRYFWMJ-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.42
Rot. Bonds6

About N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 86833145) has the molecular formula C22H20FNO4 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID86833145
Molecular FormulaC22H20FNO4
Molecular Weight381.40 g/mol
Exact Mass381.14
IUPAC NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NC2CCc3c(F)cccc32)o1
InChIInChI=1S/C22H20FNO4/c1-26-19-7-2-3-8-20(19)27-13-14-9-12-21(28-14)22(25)24-18-11-10-15-16(18)5-4-6-17(15)23/h2-9,12,18H,10-11,13H2,1H3,(H,24,25)
InChIKeyAIMACJOTRYFWMJ-UHFFFAOYSA-N
XLogP4.42
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (CID 86833145) is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)NC2CCc3c(F)cccc32)o1.
What is the InChIKey of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is AIMACJOTRYFWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO4/c1-26-19-7-2-3-8-20(19)27-13-14-9-12-21(28-14)22(25)24-18-11-10-15-16(18)5-4-6-17(15)23/h2-9,12,18H,10-11,13H2,1H3,(H,24,25).
What are the key properties of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 86833145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).