N-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide

C13H18FNO — CID 170393544

IUPACN-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide
SMILESC[C@H](F)c1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C13H18FNO/c1-9(14)10-7-5-6-8-11(10)12(16)15-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1
InChIKeyFZSXHUZOFHBVDK-VIFPVBQESA-N
MW223.29 g/mol
LogP3.25
Rot. Bonds2

About N-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide

N-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide (PubChem CID 170393544) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide
PubChem CID170393544
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide
SMILESC[C@H](F)c1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C13H18FNO/c1-9(14)10-7-5-6-8-11(10)12(16)15-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1
InChIKeyFZSXHUZOFHBVDK-VIFPVBQESA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Trifluoromethylbenzamide
CID 67759
Amylase
CID 71475145
2-Methyl-N,N-diethylbenzamide
CID 75945
N-Propylbenzamide
CID 25354
2-Methylbenzamide
CID 10704
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
N-Isopropylbenzamide
CID 79503
N-(2-Methylpropyl)benzamide
CID 95140
N-Allylbenzamide
CID 307242
4-fluoro-N-phenethylbenzamide
CID 745660
4-fluoro-N-(3-phenylpropyl)benzamide
CID 2164200

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide?
The IUPAC name of N-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide (CID 170393544) is N-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide.
What is the SMILES notation for N-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide?
The canonical SMILES for N-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide is C[C@H](F)c1ccccc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide?
The InChIKey is FZSXHUZOFHBVDK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(14)10-7-5-6-8-11(10)12(16)15-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide?
N-tert-butyl-2-[(1S)-1-fluoroethyl]benzamide has a molecular weight of 223.29 g/mol, XLogP of 3.25, 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-[(1S)-1-fluoroethyl]benzamide is sourced from PubChem (CID 170393544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).