4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide

C17H16Cl2N2O3 — CID 55706042

IUPAC4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-10-7-11(17(23)20-2)3-5-14(10)21-16(22)9-24-15-6-4-12(18)8-13(15)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyZTGZQZFRVGKIAY-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.68
Rot. Bonds5

About 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide

4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide (PubChem CID 55706042) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide
PubChem CID55706042
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-10-7-11(17(23)20-2)3-5-14(10)21-16(22)9-24-15-6-4-12(18)8-13(15)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyZTGZQZFRVGKIAY-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2500686
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 1086039
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid
CID 108753972

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide (CID 55706042) is 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide?
The InChIKey is ZTGZQZFRVGKIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-10-7-11(17(23)20-2)3-5-14(10)21-16(22)9-24-15-6-4-12(18)8-13(15)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide?
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide has a molecular weight of 367.23 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide is sourced from PubChem (CID 55706042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).