N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide

C18H19Cl2NO — CID 7914224

IUPACN-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO/c1-18(2,3)13-5-8-15(9-6-13)21-17(22)10-12-4-7-14(19)11-16(12)20/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyHNAACDWFWZJCID-UHFFFAOYSA-N
MW336.26 g/mol
LogP5.47
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide

N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide (PubChem CID 7914224) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
PubChem CID7914224
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC NameN-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO/c1-18(2,3)13-5-8-15(9-6-13)21-17(22)10-12-4-7-14(19)11-16(12)20/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyHNAACDWFWZJCID-UHFFFAOYSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.26
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 55802304
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857739
dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate
CID 4810799
2-(2,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 42965042
2-(2,4-dichlorophenyl)-N-(3-iodophenyl)acetamide
CID 7928403
N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide
CID 55697658
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide (CID 7914224) is N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide is CC(C)(C)c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide?
The InChIKey is HNAACDWFWZJCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-18(2,3)13-5-8-15(9-6-13)21-17(22)10-12-4-7-14(19)11-16(12)20/h4-9,11H,10H2,1-3H3,(H,21,22).
What are the key properties of N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide?
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide has a molecular weight of 336.26 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 7914224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).