2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide

C20H23ClN2O2 — CID 113166924

IUPAC2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CCc1cccc(Cl)c1)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H23ClN2O2/c1-14-6-4-7-15(2)20(14)22-19(25)13-23(16(3)24)11-10-17-8-5-9-18(21)12-17/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyGTFDKHOCZOMPTB-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.99
Rot. Bonds6

About 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide

2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 113166924) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID113166924
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CCc1cccc(Cl)c1)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H23ClN2O2/c1-14-6-4-7-15(2)20(14)22-19(25)13-23(16(3)24)11-10-17-8-5-9-18(21)12-17/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyGTFDKHOCZOMPTB-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 113166982
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113164396
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165479
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113166959
N-[2-(3-chlorophenyl)ethyl]-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113057115
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide
CID 113123250
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166855
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113123194
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113161843
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113162602
2-[acetyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113164038

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide (CID 113166924) is 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide is CC(=O)N(CCc1cccc(Cl)c1)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is GTFDKHOCZOMPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14-6-4-7-15(2)20(14)22-19(25)13-23(16(3)24)11-10-17-8-5-9-18(21)12-17/h4-9,12H,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide?
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 358.87 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 113166924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).