4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid

C12H14FNO5 — CID 43358600

IUPAC4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
SMILESCOCCOCC(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C12H14FNO5/c1-18-4-5-19-7-11(15)14-10-6-8(13)2-3-9(10)12(16)17/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyVALJJYWBXHCXOU-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.13
Rot. Bonds7

About 4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid

4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid (PubChem CID 43358600) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
PubChem CID43358600
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
SMILESCOCCOCC(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C12H14FNO5/c1-18-4-5-19-7-11(15)14-10-6-8(13)2-3-9(10)12(16)17/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyVALJJYWBXHCXOU-UHFFFAOYSA-N
XLogP1.13
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560278
N-(4-fluoro-2-iodophenyl)-2-(2-methoxyethoxy)acetamide
CID 103737178
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235
2-(4-ethoxybutanoylamino)-4-fluorobenzoic acid
CID 78980396
4-fluoro-2-[[3-methoxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62994916
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
4-fluoro-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 61157031
4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid
CID 43358599
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid
CID 62865537
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986
2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
CID 43358568

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid?
The IUPAC name of 4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid (CID 43358600) is 4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid is COCCOCC(=O)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid?
The InChIKey is VALJJYWBXHCXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5/c1-18-4-5-19-7-11(15)14-10-6-8(13)2-3-9(10)12(16)17/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid?
4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid has a molecular weight of 271.24 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 43358600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).