N-tert-butyl-3-fluorobenzamide

C11H14FNO — CID 4156395

IUPACN-tert-butyl-3-fluorobenzamide
SMILESCC(C)(C)NC(=O)c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-11(2,3)13-10(14)8-5-4-6-9(12)7-8/h4-7H,1-3H3,(H,13,14)
InChIKeyIJNIXIRXXLODLL-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.35
Rot. Bonds1

About N-tert-butyl-3-fluorobenzamide

N-tert-butyl-3-fluorobenzamide (PubChem CID 4156395) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is N-tert-butyl-3-fluorobenzamide.

Molecular Properties

Compound NameN-tert-butyl-3-fluorobenzamide
PubChem CID4156395
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC NameN-tert-butyl-3-fluorobenzamide
SMILESCC(C)(C)NC(=O)c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-11(2,3)13-10(14)8-5-4-6-9(12)7-8/h4-7H,1-3H3,(H,13,14)
InChIKeyIJNIXIRXXLODLL-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-fluorobenzamide?
The IUPAC name of N-tert-butyl-3-fluorobenzamide (CID 4156395) is N-tert-butyl-3-fluorobenzamide.
What is the SMILES notation for N-tert-butyl-3-fluorobenzamide?
The canonical SMILES for N-tert-butyl-3-fluorobenzamide is CC(C)(C)NC(=O)c1cccc(F)c1.
What is the InChIKey of N-tert-butyl-3-fluorobenzamide?
The InChIKey is IJNIXIRXXLODLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(2,3)13-10(14)8-5-4-6-9(12)7-8/h4-7H,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-3-fluorobenzamide?
N-tert-butyl-3-fluorobenzamide has a molecular weight of 195.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-fluorobenzamide is sourced from PubChem (CID 4156395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).