sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide

C18H17Cl3NNaO4 — CID 165360337

IUPACsodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(Cl)c1.Cc1cc(Cl)ccc1OCC(=O)[O-].[Na+]
InChIInChI=1S/C9H9Cl2NO.C9H9ClO3.Na/c1-2-9(13)12-6-3-4-7(10)8(11)5-6;1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h3-5H,2H2,1H3,(H,12,13);2-4H,5H2,1H3,(H,11,12);/q;;+1/p-1
InChIKeyBBTZAVCSVGPTLN-UHFFFAOYSA-M
MW440.69 g/mol
LogP1.12
Rot. Bonds5

About sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide

sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide (PubChem CID 165360337) has the molecular formula C18H17Cl3NNaO4 and a molecular weight of 440.69 g/mol. Its IUPAC name is sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Namesodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide
PubChem CID165360337
Molecular FormulaC18H17Cl3NNaO4
Molecular Weight440.69 g/mol
Exact Mass439.01
IUPAC Namesodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(Cl)c1.Cc1cc(Cl)ccc1OCC(=O)[O-].[Na+]
InChIInChI=1S/C9H9Cl2NO.C9H9ClO3.Na/c1-2-9(13)12-6-3-4-7(10)8(11)5-6;1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h3-5H,2H2,1H3,(H,12,13);2-4H,5H2,1H3,(H,11,12);/q;;+1/p-1
InChIKeyBBTZAVCSVGPTLN-UHFFFAOYSA-M
XLogP1.12
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.69
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide 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-chloro-4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 55611309
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 800993
N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300862
bis(2-hydroxyethyl)azanium;2-(4-chloro-2-methylphenoxy)acetate
CID 164512318
2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide
CID 67383874
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119772
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
N-(3-methyl-4-propoxyphenyl)propanamide
CID 130460979

Frequently Asked Questions

What is the IUPAC name of sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide (CID 165360337) is sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide is CCC(=O)Nc1ccc(Cl)c(Cl)c1.Cc1cc(Cl)ccc1OCC(=O)[O-].[Na+].
What is the InChIKey of sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide?
The InChIKey is BBTZAVCSVGPTLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9Cl2NO.C9H9ClO3.Na/c1-2-9(13)12-6-3-4-7(10)8(11)5-6;1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h3-5H,2H2,1H3,(H,12,13);2-4H,5H2,1H3,(H,11,12);/q;;+1/p-1.
What are the key properties of sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide?
sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide has a molecular weight of 440.69 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(4-chloro-2-methylphenoxy)acetate;N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 165360337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).