2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide

C13H18ClNO — CID 977625

IUPAC2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-4-13(2,3)15-12(16)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyYAMXPHKFXRXZKO-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide

2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 977625) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID977625
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-4-13(2,3)15-12(16)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyYAMXPHKFXRXZKO-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide (CID 977625) is 2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is YAMXPHKFXRXZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-4-13(2,3)15-12(16)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide?
2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 239.75 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 977625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).