2-tert-butyl-3-fluorobenzamide

C11H14FNO — CID 118328410

IUPAC2-tert-butyl-3-fluorobenzamide
SMILESCC(C)(C)c1c(F)cccc1C(N)=O
InChIInChI=1S/C11H14FNO/c1-11(2,3)9-7(10(13)14)5-4-6-8(9)12/h4-6H,1-3H3,(H2,13,14)
InChIKeyKNGMPKJMIFTVMC-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.22
Rot. Bonds1

About 2-tert-butyl-3-fluorobenzamide

2-tert-butyl-3-fluorobenzamide (PubChem CID 118328410) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-tert-butyl-3-fluorobenzamide.

Molecular Properties

Compound Name2-tert-butyl-3-fluorobenzamide
PubChem CID118328410
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-tert-butyl-3-fluorobenzamide
SMILESCC(C)(C)c1c(F)cccc1C(N)=O
InChIInChI=1S/C11H14FNO/c1-11(2,3)9-7(10(13)14)5-4-6-8(9)12/h4-6H,1-3H3,(H2,13,14)
InChIKeyKNGMPKJMIFTVMC-UHFFFAOYSA-N
XLogP2.22
TPSA43.09 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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-fluorobenzamide;dihydrochloride
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2-tert-butylbenzene-1,3-dicarboperoxoic acid
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3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide
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2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-fluorobenzamide?
The IUPAC name of 2-tert-butyl-3-fluorobenzamide (CID 118328410) is 2-tert-butyl-3-fluorobenzamide.
What is the SMILES notation for 2-tert-butyl-3-fluorobenzamide?
The canonical SMILES for 2-tert-butyl-3-fluorobenzamide is CC(C)(C)c1c(F)cccc1C(N)=O.
What is the InChIKey of 2-tert-butyl-3-fluorobenzamide?
The InChIKey is KNGMPKJMIFTVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(2,3)9-7(10(13)14)5-4-6-8(9)12/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 2-tert-butyl-3-fluorobenzamide?
2-tert-butyl-3-fluorobenzamide has a molecular weight of 195.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-fluorobenzamide is sourced from PubChem (CID 118328410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).