2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide

C20H22Cl2N2O2 — CID 113179625

IUPAC2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C(C)(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-13(25)24(18-10-9-14(21)11-16(18)22)12-19(26)23-17-8-6-5-7-15(17)20(2,3)4/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyNTRVHSVZPNMNOY-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.28
Rot. Bonds4

About 2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide

2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide (PubChem CID 113179625) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide
PubChem CID113179625
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C(C)(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-13(25)24(18-10-9-14(21)11-16(18)22)12-19(26)23-17-8-6-5-7-15(17)20(2,3)4/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyNTRVHSVZPNMNOY-UHFFFAOYSA-N
XLogP5.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113172867
2-(N-acetyl-2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179621
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-tert-butylphenyl)acetamide
CID 113172580
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 113175063
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methylphenyl)acetamide
CID 113172073
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113174598
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113179388
2-(N-acetyl-2,4-dichloroanilino)-N-(3-fluorophenyl)acetamide
CID 113179657
2-(N-acetyl-2-methylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113167437
2-(N-acetyl-2,4-dichloroanilino)-N-propan-2-ylacetamide
CID 113179538
2-(N-acetyl-3-chloroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113171420

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide (CID 113179625) is 2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1C(C)(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide?
The InChIKey is NTRVHSVZPNMNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-13(25)24(18-10-9-14(21)11-16(18)22)12-19(26)23-17-8-6-5-7-15(17)20(2,3)4/h5-11H,12H2,1-4H3,(H,23,26).
What are the key properties of 2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide?
2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide has a molecular weight of 393.31 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4-dichloroanilino)-N-(2-tert-butylphenyl)acetamide is sourced from PubChem (CID 113179625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).