7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

C20H20FNO4 — CID 31285128

IUPAC7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)c2oc3c(F)cccc3c2C)cc1
InChIInChI=1S/C20H20FNO4/c1-13-16-5-4-6-17(21)19(16)26-18(13)20(23)22(2)11-12-25-15-9-7-14(24-3)8-10-15/h4-10H,11-12H2,1-3H3
InChIKeyFUDRJWTVNLEWKA-UHFFFAOYSA-N
MW357.38 g/mol
LogP4.04
Rot. Bonds6

About 7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 31285128) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is 7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID31285128
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)c2oc3c(F)cccc3c2C)cc1
InChIInChI=1S/C20H20FNO4/c1-13-16-5-4-6-17(21)19(16)26-18(13)20(23)22(2)11-12-25-15-9-7-14(24-3)8-10-15/h4-10H,11-12H2,1-3H3
InChIKeyFUDRJWTVNLEWKA-UHFFFAOYSA-N
XLogP4.04
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 70715090
7-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 112548198
7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 16546548
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 43017176
7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9088549
N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 123307514
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78794109
N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide
CID 18113160
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 46811824
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9429656
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 31285128) is 7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is COc1ccc(OCCN(C)C(=O)c2oc3c(F)cccc3c2C)cc1.
What is the InChIKey of 7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is FUDRJWTVNLEWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-13-16-5-4-6-17(21)19(16)26-18(13)20(23)22(2)11-12-25-15-9-7-14(24-3)8-10-15/h4-10H,11-12H2,1-3H3.
What are the key properties of 7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 31285128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).