2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid

C15H16FNO5 — CID 120702425

IUPAC2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1oc2ccc(F)cc2c1C)C(=O)O
InChIInChI=1S/C15H16FNO5/c1-8-10-7-9(16)3-4-12(10)22-13(8)14(18)17-11(15(19)20)5-6-21-2/h3-4,7,11H,5-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHADCQFKBRGMZSM-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.10
Rot. Bonds6

About 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid

2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid (PubChem CID 120702425) has the molecular formula C15H16FNO5 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid
PubChem CID120702425
Molecular FormulaC15H16FNO5
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1oc2ccc(F)cc2c1C)C(=O)O
InChIInChI=1S/C15H16FNO5/c1-8-10-7-9(16)3-4-12(10)22-13(8)14(18)17-11(15(19)20)5-6-21-2/h3-4,7,11H,5-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHADCQFKBRGMZSM-UHFFFAOYSA-N
XLogP2.10
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81085318
4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 62480713
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylpentanoic acid
CID 119212059
(2S)-2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822156
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468905
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8950534

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid (CID 120702425) is 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1oc2ccc(F)cc2c1C)C(=O)O.
What is the InChIKey of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is HADCQFKBRGMZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO5/c1-8-10-7-9(16)3-4-12(10)22-13(8)14(18)17-11(15(19)20)5-6-21-2/h3-4,7,11H,5-6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid?
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 309.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120702425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).