N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide

C18H19ClN2O3 — CID 112998277

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)COc2ccccc2)c(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-12-8-13(2)18(15(19)9-12)21-16(22)10-20-17(23)11-24-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGCHHUMJRJLKCPU-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.09
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 112998277) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID112998277
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)COc2ccccc2)c(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-12-8-13(2)18(15(19)9-12)21-16(22)10-20-17(23)11-24-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGCHHUMJRJLKCPU-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112998279
2-[[2-(4-phenoxyphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26080587
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108889015
N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide
CID 24607292
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998293
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide
CID 55733108
methyl 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542013
1-(2-chloro-4,6-dimethylphenyl)-3-(3-phenoxypropyl)urea
CID 108883243
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46786994
N-(2,5-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 9314105
N-(2-chloro-4,6-dimethylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 2534815

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide (CID 112998277) is N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide is Cc1cc(C)c(NC(=O)CNC(=O)COc2ccccc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is GCHHUMJRJLKCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-8-13(2)18(15(19)9-12)21-16(22)10-20-17(23)11-24-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 346.81 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 112998277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).