methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate

C20H18FNO4 — CID 139644437

IUPACmethyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate
SMILESCCc1oc2cc(F)ccc2c1C(=O)c1ccc(NCC(=O)OC)cc1
InChIInChI=1S/C20H18FNO4/c1-3-16-19(15-9-6-13(21)10-17(15)26-16)20(24)12-4-7-14(8-5-12)22-11-18(23)25-2/h4-10,22H,3,11H2,1-2H3
InChIKeyUIKACAKOTYBHEF-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.95
Rot. Bonds6

About methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate

methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate (PubChem CID 139644437) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate
PubChem CID139644437
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Namemethyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate
SMILESCCc1oc2cc(F)ccc2c1C(=O)c1ccc(NCC(=O)OC)cc1
InChIInChI=1S/C20H18FNO4/c1-3-16-19(15-9-6-13(21)10-17(15)26-16)20(24)12-4-7-14(8-5-12)22-11-18(23)25-2/h4-10,22H,3,11H2,1-2H3
InChIKeyUIKACAKOTYBHEF-UHFFFAOYSA-N
XLogP3.95
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)-3-methylanilino]acetate
CID 139644440
(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260397
4-[(2-methoxy-2-oxoethyl)amino]benzoic acid
CID 898305
(4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 63498188
methyl 2-(2-bromo-6-fluoro-1-benzofuran-3-yl)acetate
CID 97036596
2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde
CID 139644441
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
(6-bromo-2-ethyl-1-benzofuran-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
CID 71512090
fluoro 2-(4-fluoroanilino)acetate
CID 143108358
methyl 2-[5-fluoro-3-[(S)-methylsulfinyl]-1-benzofuran-2-yl]acetate
CID 139077261
(4-ethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43160562
[4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone
CID 142171196

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate?
The IUPAC name of methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate (CID 139644437) is methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate.
What is the SMILES notation for methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate?
The canonical SMILES for methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate is CCc1oc2cc(F)ccc2c1C(=O)c1ccc(NCC(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate?
The InChIKey is UIKACAKOTYBHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-3-16-19(15-9-6-13(21)10-17(15)26-16)20(24)12-4-7-14(8-5-12)22-11-18(23)25-2/h4-10,22H,3,11H2,1-2H3.
What are the key properties of methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate?
methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate has a molecular weight of 355.37 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-ethyl-6-fluoro-1-benzofuran-3-carbonyl)anilino]acetate is sourced from PubChem (CID 139644437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).