2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid

C12H14ClNO5 — CID 63724965

IUPAC2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
SMILESCOCCOCC(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C12H14ClNO5/c1-18-5-6-19-7-10(15)14-9-4-2-3-8(13)11(9)12(16)17/h2-4H,5-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyIXEOENJVJUWHJN-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.64
Rot. Bonds7

About 2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid

2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid (PubChem CID 63724965) has the molecular formula C12H14ClNO5 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
PubChem CID63724965
Molecular FormulaC12H14ClNO5
Molecular Weight287.70 g/mol
Exact Mass287.06
IUPAC Name2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
SMILESCOCCOCC(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C12H14ClNO5/c1-18-5-6-19-7-10(15)14-9-4-2-3-8(13)11(9)12(16)17/h2-4H,5-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyIXEOENJVJUWHJN-UHFFFAOYSA-N
XLogP1.64
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.64
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

2-chloro-6-(3-ethoxypropanoylamino)benzoic acid
CID 63724109
2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 63723134
2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 63724953
2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346
2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 63724266
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 108745791
4-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881385
2-chloro-6-(3-phenylpropanoylamino)benzoic acid
CID 63723256
2-(4-aminobutanoylamino)-6-chlorobenzoic acid
CID 63722595
methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 103606710
2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid
CID 64612265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid?
The IUPAC name of 2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid (CID 63724965) is 2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid is COCCOCC(=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid?
The InChIKey is IXEOENJVJUWHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO5/c1-18-5-6-19-7-10(15)14-9-4-2-3-8(13)11(9)12(16)17/h2-4H,5-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid?
2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid has a molecular weight of 287.70 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 63724965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).