N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide

C13H18FNO2 — CID 141359575

IUPACN-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(F)c1CCO
InChIInChI=1S/C13H18FNO2/c1-13(2,3)15-12(17)10-5-4-6-11(14)9(10)7-8-16/h4-6,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyHWWFQZRZPKGGQS-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.89
Rot. Bonds3

About N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide

N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide (PubChem CID 141359575) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide
PubChem CID141359575
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(F)c1CCO
InChIInChI=1S/C13H18FNO2/c1-13(2,3)15-12(17)10-5-4-6-11(14)9(10)7-8-16/h4-6,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyHWWFQZRZPKGGQS-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-{4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxybutyl}benzamide
CID 461000
2-Butanol deriv. 10
CID 461002
2-Butanol deriv. 9
CID 5328109
4-fluoro-N-(2-hydroxy-1,1-dimethylethyl)benzamide
CID 884880
2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 639975
N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide
CID 4550594
(S)-N-(tert-butyl)-2-(1-fluoroethyl)benzamide
CID 170393544
2-fluoro-N-[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]benzamide
CID 1106120
N-tert-butyl-2-(fluoromethyl)benzamide
CID 132493127
(R)-N-(tert-butyl)-2-(1-fluoroethyl)benzamide
CID 172419804
(R)-N-(tert-butyl)-5-fluoro-2-(1-fluoroethyl)benzamide
CID 172419809
(R)-2-(1-fluoroethyl)-N-(tert-pentyl)benzamide
CID 172419813

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide?
The IUPAC name of N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide (CID 141359575) is N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide is CC(C)(C)NC(=O)c1cccc(F)c1CCO.
What is the InChIKey of N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide?
The InChIKey is HWWFQZRZPKGGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2,3)15-12(17)10-5-4-6-11(14)9(10)7-8-16/h4-6,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide?
N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide has a molecular weight of 239.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 141359575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).