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

C15H16FNO4 — CID 61383254

IUPACmethyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H16FNO4/c1-4-17(8-13(18)20-3)15(19)14-9(2)11-7-10(16)5-6-12(11)21-14/h5-7H,4,8H2,1-3H3
InChIKeyYQMDSALEFISOAL-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.52
Rot. Bonds4

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

methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate (PubChem CID 61383254) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
PubChem CID61383254
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Namemethyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H16FNO4/c1-4-17(8-13(18)20-3)15(19)14-9(2)11-7-10(16)5-6-12(11)21-14/h5-7H,4,8H2,1-3H3
InChIKeyYQMDSALEFISOAL-UHFFFAOYSA-N
XLogP2.52
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 115771204
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8960631
ethyl 2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)-ethylamino]acetate
CID 78901773
N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 8960895
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 115869516
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831048

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate (CID 61383254) is methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate is CCN(CC(=O)OC)C(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate?
The InChIKey is YQMDSALEFISOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-4-17(8-13(18)20-3)15(19)14-9(2)11-7-10(16)5-6-12(11)21-14/h5-7H,4,8H2,1-3H3.
What are the key properties of methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate?
methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate has a molecular weight of 293.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 61383254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).