2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid

C15H11Cl2NO4 — CID 11302225

IUPAC2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H11Cl2NO4/c16-9-5-10(17)7-11(6-9)22-8-14(19)18-13-4-2-1-3-12(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyMEQRQIDRMCQBNO-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.71
Rot. Bonds5

About 2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid

2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid (PubChem CID 11302225) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is 2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid
PubChem CID11302225
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H11Cl2NO4/c16-9-5-10(17)7-11(6-9)22-8-14(19)18-13-4-2-1-3-12(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyMEQRQIDRMCQBNO-UHFFFAOYSA-N
XLogP3.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
CID 11438700
N-(2-cyanophenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 26216328
2-aminobenzoic acid;2-[(2-phenoxyacetyl)amino]benzoic acid;2-phenoxyacetyl chloride
CID 158801419
5-chloro-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoic acid
CID 2233863
5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid
CID 66680457
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
N-(4-chloro-2-methylphenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 7467092
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
CID 5046071
N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129
zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)
CID 67733128
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid (CID 11302225) is 2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid is O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid?
The InChIKey is MEQRQIDRMCQBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c16-9-5-10(17)7-11(6-9)22-8-14(19)18-13-4-2-1-3-12(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid?
2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid has a molecular weight of 340.16 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 11302225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).