2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid

C13H12FNO4 — CID 43241826

IUPAC2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
SMILESCc1c(C(=O)N(C)CC(=O)O)oc2c(F)cccc12
InChIInChI=1S/C13H12FNO4/c1-7-8-4-3-5-9(14)12(8)19-11(7)13(18)15(2)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyGGJWSNRCYARGKN-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.04
Rot. Bonds3

About 2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid

2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid (PubChem CID 43241826) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
PubChem CID43241826
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
SMILESCc1c(C(=O)N(C)CC(=O)O)oc2c(F)cccc12
InChIInChI=1S/C13H12FNO4/c1-7-8-4-3-5-9(14)12(8)19-11(7)13(18)15(2)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyGGJWSNRCYARGKN-UHFFFAOYSA-N
XLogP2.04
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 112548198
7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 31285128
7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 32917686
2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid
CID 122107124
N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 123307514
7-fluoro-N,3-dimethyl-N-(quinoxalin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 70715090
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 47439011

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid (CID 43241826) is 2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid is Cc1c(C(=O)N(C)CC(=O)O)oc2c(F)cccc12.
What is the InChIKey of 2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid?
The InChIKey is GGJWSNRCYARGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-7-8-4-3-5-9(14)12(8)19-11(7)13(18)15(2)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid?
2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid has a molecular weight of 265.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 43241826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).