N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide

C12H15ClFNO — CID 841915

IUPACN-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCC(C)(C)NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO/c1-12(2,3)15-11(16)7-8-9(13)5-4-6-10(8)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyRWZCVQWGMURPCL-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.94
Rot. Bonds2

About N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide

N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 841915) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID841915
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC NameN-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCC(C)(C)NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO/c1-12(2,3)15-11(16)7-8-9(13)5-4-6-10(8)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyRWZCVQWGMURPCL-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.94
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-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide (CID 841915) is N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide is CC(C)(C)NC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is RWZCVQWGMURPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-12(2,3)15-11(16)7-8-9(13)5-4-6-10(8)14/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide?
N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 243.71 g/mol, XLogP of 2.94, 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-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 841915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).