2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide

C20H24ClNO — CID 53319717

IUPAC2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccccc1Cl
InChIInChI=1S/C20H24ClNO/c1-14(17-7-5-6-8-18(17)21)22-19(23)13-15-9-11-16(12-10-15)20(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,23)
InChIKeyXQYODJPYRZMHCQ-UHFFFAOYSA-N
MW329.87 g/mol
LogP5.06
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide

2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide (PubChem CID 53319717) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
PubChem CID53319717
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccccc1Cl
InChIInChI=1S/C20H24ClNO/c1-14(17-7-5-6-8-18(17)21)22-19(23)13-15-9-11-16(12-10-15)20(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,23)
InChIKeyXQYODJPYRZMHCQ-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide (CID 53319717) is 2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide is CC(NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccccc1Cl.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide?
The InChIKey is XQYODJPYRZMHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-14(17-7-5-6-8-18(17)21)22-19(23)13-15-9-11-16(12-10-15)20(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide?
2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide has a molecular weight of 329.87 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 53319717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).