3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid

C10H9Cl2NO4 — CID 107047930

IUPAC3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid
SMILESCOCC(=O)Nc1c(Cl)ccc(Cl)c1C(=O)O
InChIInChI=1S/C10H9Cl2NO4/c1-17-4-7(14)13-9-6(12)3-2-5(11)8(9)10(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyAGWDJZOZHLAJBL-UHFFFAOYSA-N
MW278.09 g/mol
LogP2.28
Rot. Bonds4

About 3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid

3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid (PubChem CID 107047930) has the molecular formula C10H9Cl2NO4 and a molecular weight of 278.09 g/mol. Its IUPAC name is 3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid
PubChem CID107047930
Molecular FormulaC10H9Cl2NO4
Molecular Weight278.09 g/mol
Exact Mass276.99
IUPAC Name3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid
SMILESCOCC(=O)Nc1c(Cl)ccc(Cl)c1C(=O)O
InChIInChI=1S/C10H9Cl2NO4/c1-17-4-7(14)13-9-6(12)3-2-5(11)8(9)10(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyAGWDJZOZHLAJBL-UHFFFAOYSA-N
XLogP2.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid
CID 82831221
2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid
CID 13271051
2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63724965
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
2-[2-(carbamoylamino)propanoylamino]-3,6-dichlorobenzoic acid
CID 107048182
2-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927542
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid
CID 107047863

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid?
The IUPAC name of 3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid (CID 107047930) is 3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid?
The canonical SMILES for 3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid is COCC(=O)Nc1c(Cl)ccc(Cl)c1C(=O)O.
What is the InChIKey of 3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid?
The InChIKey is AGWDJZOZHLAJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4/c1-17-4-7(14)13-9-6(12)3-2-5(11)8(9)10(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid?
3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid has a molecular weight of 278.09 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 107047930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).