2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid

C18H17Cl2NO5 — CID 17358791

IUPAC2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO5/c1-10-7-13(25-9-17(22)23)4-5-15(10)21-18(24)11(2)26-16-6-3-12(19)8-14(16)20/h3-8,11H,9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHMKMEASZNKZOQM-UHFFFAOYSA-N
MW398.24 g/mol
LogP4.17
Rot. Bonds7

About 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid

2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid (PubChem CID 17358791) has the molecular formula C18H17Cl2NO5 and a molecular weight of 398.24 g/mol. Its IUPAC name is 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid
PubChem CID17358791
Molecular FormulaC18H17Cl2NO5
Molecular Weight398.24 g/mol
Exact Mass397.05
IUPAC Name2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NO5/c1-10-7-13(25-9-17(22)23)4-5-15(10)21-18(24)11(2)26-16-6-3-12(19)8-14(16)20/h3-8,11H,9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHMKMEASZNKZOQM-UHFFFAOYSA-N
XLogP4.17
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]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

2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid
CID 17342101
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 2268092
(2S)-2-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7278991
methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate
CID 55709148
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267118
(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698
N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 110209226
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid
CID 2943352

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid (CID 17358791) is 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid is Cc1cc(OCC(=O)O)ccc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid?
The InChIKey is HMKMEASZNKZOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO5/c1-10-7-13(25-9-17(22)23)4-5-15(10)21-18(24)11(2)26-16-6-3-12(19)8-14(16)20/h3-8,11H,9H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid?
2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid has a molecular weight of 398.24 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 17358791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).