N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide

C19H21ClN2O2 — CID 112998293

IUPACN-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cc2ccccc2C)c(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-8-14(3)19(16(20)9-12)22-18(24)11-21-17(23)10-15-7-5-4-6-13(15)2/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyQARYVMHVWWADJZ-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide

N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide (PubChem CID 112998293) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
PubChem CID112998293
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cc2ccccc2C)c(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-8-14(3)19(16(20)9-12)22-18(24)11-21-17(23)10-15-7-5-4-6-13(15)2/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyQARYVMHVWWADJZ-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide
CID 112998260
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 112998255
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112998277
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113001362
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112998279
2-[(2-methylphenyl)methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 108996565
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 86925990
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide (CID 112998293) is N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNC(=O)Cc2ccccc2C)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is QARYVMHVWWADJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-8-14(3)19(16(20)9-12)22-18(24)11-21-17(23)10-15-7-5-4-6-13(15)2/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 112998293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).