2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid

C16H13Cl2NO4 — CID 166178801

IUPAC2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NO4/c17-11-5-6-14(12(18)8-11)23-9-15(20)19-13-4-2-1-3-10(13)7-16(21)22/h1-6,8H,7,9H2,(H,19,20)(H,21,22)
InChIKeyMABHMPRHNYBKOQ-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.64
Rot. Bonds6

About 2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid

2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid (PubChem CID 166178801) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is 2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
PubChem CID166178801
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NO4/c17-11-5-6-14(12(18)8-11)23-9-15(20)19-13-4-2-1-3-10(13)7-16(21)22/h1-6,8H,7,9H2,(H,19,20)(H,21,22)
InChIKeyMABHMPRHNYBKOQ-UHFFFAOYSA-N
XLogP3.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
2-(2,4-dichlorophenoxy)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 86821663
2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 1213643
2-(2,4-dichlorophenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide
CID 55899065
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid
CID 108753972
N-[2-[acetyl(methyl)amino]phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113093774
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387
N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5102467
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid (CID 166178801) is 2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid?
The InChIKey is MABHMPRHNYBKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c17-11-5-6-14(12(18)8-11)23-9-15(20)19-13-4-2-1-3-10(13)7-16(21)22/h1-6,8H,7,9H2,(H,19,20)(H,21,22).
What are the key properties of 2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid?
2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid has a molecular weight of 354.19 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 166178801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).