5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide

C19H18FNO4 — CID 8935487

IUPAC5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2oc3ccc(F)cc3c2C)cc1
InChIInChI=1S/C19H18FNO4/c1-12-16-11-13(20)3-8-17(16)25-18(12)19(22)21-9-10-24-15-6-4-14(23-2)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,21,22)
InChIKeyMOVJKUKINMWFAC-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.70
Rot. Bonds6

About 5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide

5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8935487) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8935487
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2oc3ccc(F)cc3c2C)cc1
InChIInChI=1S/C19H18FNO4/c1-12-16-11-13(20)3-8-17(16)25-18(12)19(22)21-9-10-24-15-6-4-14(23-2)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,21,22)
InChIKeyMOVJKUKINMWFAC-UHFFFAOYSA-N
XLogP3.70
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55903792
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468905
5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 35345651
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52985399
5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9080704
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
N-[2-(methanesulfonamido)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 86922051
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242438
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8950534
N-[2-(3-bromo-4-fluorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55897249

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 8935487) is 5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide is COc1ccc(OCCNC(=O)c2oc3ccc(F)cc3c2C)cc1.
What is the InChIKey of 5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MOVJKUKINMWFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-12-16-11-13(20)3-8-17(16)25-18(12)19(22)21-9-10-24-15-6-4-14(23-2)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8935487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).