4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid

C17H15Cl2NO4 — CID 2950887

IUPAC4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C17H15Cl2NO4/c1-9-7-11(18)4-6-15(9)24-10(2)16(21)20-14-8-12(19)3-5-13(14)17(22)23/h3-8,10H,1-2H3,(H,20,21)(H,22,23)
InChIKeyOSXUWZRUCZLQBD-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.41
Rot. Bonds5

About 4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid

4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid (PubChem CID 2950887) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is 4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid
PubChem CID2950887
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C17H15Cl2NO4/c1-9-7-11(18)4-6-15(9)24-10(2)16(21)20-14-8-12(19)3-5-13(14)17(22)23/h3-8,10H,1-2H3,(H,20,21)(H,22,23)
InChIKeyOSXUWZRUCZLQBD-UHFFFAOYSA-N
XLogP4.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-Chlorophenoxy)acetamido]benzoic acid
CID 708990
compound 5 (PMID: 29579323)
CID 2264067
2-{[(4-Chloro-2-methylphenoxy)acetyl]amino}benzoic acid
CID 839534
Clamidoxic Acid
CID 22554
4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid
CID 66674
Trpm4-IN-2
CID 1295523
2-[[2-(4-methoxyphenoxy)acetyl]amino]benzoic Acid
CID 882926
4-Chloro-2-{[(4-methoxyphenyl)acetyl]amino}benzoic acid
CID 839406
4-Chloro-2-{[(2-nitrophenoxy)acetyl]amino}benzoic acid
CID 976704
2-(4-(2,4-Dichlorophenoxy)butanamido)benzoic acid
CID 1920467
[1-(3-Chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 5133366
Ethyl 2-[(phenoxyacetyl)amino]benzoate
CID 874248

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid?
The IUPAC name of 4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid (CID 2950887) is 4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid?
The canonical SMILES for 4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid?
The InChIKey is OSXUWZRUCZLQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-9-7-11(18)4-6-15(9)24-10(2)16(21)20-14-8-12(19)3-5-13(14)17(22)23/h3-8,10H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid?
4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid has a molecular weight of 368.22 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid is sourced from PubChem (CID 2950887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).