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

C20H23ClN2O2 — CID 113172573

IUPAC2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C(C)=O)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-5-16-8-6-7-9-18(16)22-19(25)12-23(15(4)24)20-14(3)10-13(2)11-17(20)21/h6-11H,5,12H2,1-4H3,(H,22,25)
InChIKeyZQCIDXNTWXSPJX-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.51
Rot. Bonds5

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

2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide (PubChem CID 113172573) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide
PubChem CID113172573
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C(C)=O)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-5-16-8-6-7-9-18(16)22-19(25)12-23(15(4)24)20-14(3)10-13(2)11-17(20)21/h6-11H,5,12H2,1-4H3,(H,22,25)
InChIKeyZQCIDXNTWXSPJX-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide
CID 113172580
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-4-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113167753
2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113178115
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113172591
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-fluorophenyl)acetamide
CID 113169505
2-(N-acetyl-2-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169101
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113169512
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113127741
3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113128327

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide (CID 113172573) is 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C(C)=O)c1c(C)cc(C)cc1Cl.
What is the InChIKey of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide?
The InChIKey is ZQCIDXNTWXSPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-5-16-8-6-7-9-18(16)22-19(25)12-23(15(4)24)20-14(3)10-13(2)11-17(20)21/h6-11H,5,12H2,1-4H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide?
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-ethylphenyl)acetamide has a molecular weight of 358.87 g/mol, XLogP of 4.51, 5 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-ethylphenyl)acetamide is sourced from PubChem (CID 113172573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).