ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate

C14H14FNO4 — CID 47257353

IUPACethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C14H14FNO4/c1-3-19-12(17)7-16-14(18)13-8(2)10-6-9(15)4-5-11(10)20-13/h4-6H,3,7H2,1-2H3,(H,16,18)
InChIKeySUUHLVQYZISOCB-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.17
Rot. Bonds4

About ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate

ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate (PubChem CID 47257353) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
PubChem CID47257353
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Nameethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C14H14FNO4/c1-3-19-12(17)7-16-14(18)13-8(2)10-6-9(15)4-5-11(10)20-13/h4-6H,3,7H2,1-2H3,(H,16,18)
InChIKeySUUHLVQYZISOCB-UHFFFAOYSA-N
XLogP2.17
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468905
methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 61383254
N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18165923
5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8935487
N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55854007
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242438
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylpentanoic acid
CID 119212059
5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9080704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate (CID 47257353) is ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate?
The InChIKey is SUUHLVQYZISOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4/c1-3-19-12(17)7-16-14(18)13-8(2)10-6-9(15)4-5-11(10)20-13/h4-6H,3,7H2,1-2H3,(H,16,18).
What are the key properties of ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate?
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate has a molecular weight of 279.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 47257353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).