3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid

C10H9Cl2NO4 — CID 82831221

IUPAC3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid
SMILESCOCC(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C10H9Cl2NO4/c1-17-4-8(14)13-9-6(11)2-5(10(15)16)3-7(9)12/h2-3H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyVPZOXBQFIGLRMV-UHFFFAOYSA-N
MW278.09 g/mol
LogP2.28
Rot. Bonds4

About 3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid

3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid (PubChem CID 82831221) has the molecular formula C10H9Cl2NO4 and a molecular weight of 278.09 g/mol. Its IUPAC name is 3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid
PubChem CID82831221
Molecular FormulaC10H9Cl2NO4
Molecular Weight278.09 g/mol
Exact Mass276.99
IUPAC Name3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid
SMILESCOCC(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C10H9Cl2NO4/c1-17-4-8(14)13-9-6(11)2-5(10(15)16)3-7(9)12/h2-3H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyVPZOXBQFIGLRMV-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-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 82830565
4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid
CID 82830709
3,6-dichloro-2-[(2-methoxyacetyl)amino]benzoic acid
CID 107047930
3,5-dichloro-4-(2-methoxyethylcarbamoylamino)benzoic acid
CID 82830151
3,5-dichloro-4-(4,4,4-trifluorobutanoylamino)benzoic acid
CID 82830697
4-(3-acetamidopropanoylamino)-3,5-dichlorobenzoic acid
CID 82830625
3,5-dichloro-4-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 82833257
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
CID 82830278
3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid
CID 82830861
4-(7-aminoheptanoylamino)-3,5-dichlorobenzoic acid
CID 82812561
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575
3,5-dichloro-4-(2,2-dimethylpropylcarbamoylamino)benzoic acid
CID 82832906

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid?
The IUPAC name of 3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid (CID 82831221) is 3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid is COCC(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid?
The InChIKey is VPZOXBQFIGLRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4/c1-17-4-8(14)13-9-6(11)2-5(10(15)16)3-7(9)12/h2-3H,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid?
3,5-dichloro-4-[(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 3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 82831221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).