N-(4-tert-butyl-2-chlorophenyl)acetamide

C12H16ClNO — CID 517729

IUPACN-(4-tert-butyl-2-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-8(15)14-11-6-5-9(7-10(11)13)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyNQEYFCHLAJWJIX-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.60
Rot. Bonds1

About N-(4-tert-butyl-2-chlorophenyl)acetamide

N-(4-tert-butyl-2-chlorophenyl)acetamide (PubChem CID 517729) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-(4-tert-butyl-2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-chlorophenyl)acetamide
PubChem CID517729
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-(4-tert-butyl-2-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-8(15)14-11-6-5-9(7-10(11)13)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyNQEYFCHLAJWJIX-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-chlorophenyl)acetamide?
The IUPAC name of N-(4-tert-butyl-2-chlorophenyl)acetamide (CID 517729) is N-(4-tert-butyl-2-chlorophenyl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-2-chlorophenyl)acetamide?
The canonical SMILES for N-(4-tert-butyl-2-chlorophenyl)acetamide is CC(=O)Nc1ccc(C(C)(C)C)cc1Cl.
What is the InChIKey of N-(4-tert-butyl-2-chlorophenyl)acetamide?
The InChIKey is NQEYFCHLAJWJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8(15)14-11-6-5-9(7-10(11)13)12(2,3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-(4-tert-butyl-2-chlorophenyl)acetamide?
N-(4-tert-butyl-2-chlorophenyl)acetamide has a molecular weight of 225.72 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-chlorophenyl)acetamide is sourced from PubChem (CID 517729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).