N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide

C13H17ClFNO — CID 67968228

IUPACN-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide
SMILESCc1c(CC(=O)NC(C)(C)C)ccc(Cl)c1F
InChIInChI=1S/C13H17ClFNO/c1-8-9(5-6-10(14)12(8)15)7-11(17)16-13(2,3)4/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyUUAGBPTZZHVKBN-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.24
Rot. Bonds2

About N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide

N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide (PubChem CID 67968228) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide
PubChem CID67968228
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC NameN-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide
SMILESCc1c(CC(=O)NC(C)(C)C)ccc(Cl)c1F
InChIInChI=1S/C13H17ClFNO/c1-8-9(5-6-10(14)12(8)15)7-11(17)16-13(2,3)4/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyUUAGBPTZZHVKBN-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide (CID 67968228) is N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide is Cc1c(CC(=O)NC(C)(C)C)ccc(Cl)c1F.
What is the InChIKey of N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide?
The InChIKey is UUAGBPTZZHVKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-8-9(5-6-10(14)12(8)15)7-11(17)16-13(2,3)4/h5-6H,7H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide?
N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide has a molecular weight of 257.74 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 67968228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).