2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide

C22H27ClN2O2 — CID 113172580

IUPAC2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C(C)(C)C)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-14-11-15(2)21(18(23)12-14)25(16(3)26)13-20(27)24-19-10-8-7-9-17(19)22(4,5)6/h7-12H,13H2,1-6H3,(H,24,27)
InChIKeyGXPMQDRWWDGUOD-UHFFFAOYSA-N
MW386.92 g/mol
LogP5.25
Rot. Bonds4

About 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide

2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide (PubChem CID 113172580) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide
PubChem CID113172580
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C(C)(C)C)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-14-11-15(2)21(18(23)12-14)25(16(3)26)13-20(27)24-19-10-8-7-9-17(19)22(4,5)6/h7-12H,13H2,1-6H3,(H,24,27)
InChIKeyGXPMQDRWWDGUOD-UHFFFAOYSA-N
XLogP5.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.92
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide
CID 113172573
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113172577
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113172625
2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide
CID 113179625
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113172867
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113172591
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113128327
2-(N-acetyl-2,6-dimethylanilino)-N-(2-methylphenyl)acetamide
CID 113168713
2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
CID 113170068
N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 109008221
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113174598
N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035689

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide (CID 113172580) is 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1C(C)(C)C)c1c(C)cc(C)cc1Cl.
What is the InChIKey of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide?
The InChIKey is GXPMQDRWWDGUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-14-11-15(2)21(18(23)12-14)25(16(3)26)13-20(27)24-19-10-8-7-9-17(19)22(4,5)6/h7-12H,13H2,1-6H3,(H,24,27).
What are the key properties of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide?
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide has a molecular weight of 386.92 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide is sourced from PubChem (CID 113172580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).