2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide

C13H17ClFNO — CID 56922709

IUPAC2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFNO/c1-4-13(2,3)16-12(17)7-9-5-6-10(14)8-11(9)15/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyJAOAVRNTYNVTMG-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.33
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide

2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 56922709) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID56922709
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFNO/c1-4-13(2,3)16-12(17)7-9-5-6-10(14)8-11(9)15/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyJAOAVRNTYNVTMG-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide (CID 56922709) is 2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is JAOAVRNTYNVTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-4-13(2,3)16-12(17)7-9-5-6-10(14)8-11(9)15/h5-6,8H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide?
2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 257.74 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 56922709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).