4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid

C17H16ClNO4 — CID 882599

IUPAC4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid
SMILESCc1ccc(C)c(OCC(=O)Nc2cc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C17H16ClNO4/c1-10-3-4-11(2)15(7-10)23-9-16(20)19-14-8-12(18)5-6-13(14)17(21)22/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNTNFYIFLWCEOQD-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.67
Rot. Bonds5

About 4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid

4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid (PubChem CID 882599) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid
PubChem CID882599
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid
SMILESCc1ccc(C)c(OCC(=O)Nc2cc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C17H16ClNO4/c1-10-3-4-11(2)15(7-10)23-9-16(20)19-14-8-12(18)5-6-13(14)17(21)22/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNTNFYIFLWCEOQD-UHFFFAOYSA-N
XLogP3.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 7334375
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
CID 1342326
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 2670259
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid
CID 100977124
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918767
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
N-[(4-chloro-2-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 19188042
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid (CID 882599) is 4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid is Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)ccc2C(=O)O)c1.
What is the InChIKey of 4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid?
The InChIKey is NTNFYIFLWCEOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-10-3-4-11(2)15(7-10)23-9-16(20)19-14-8-12(18)5-6-13(14)17(21)22/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid?
4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid has a molecular weight of 333.77 g/mol, XLogP of 3.67, 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-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 882599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).