2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide

C13H17FN2O3 — CID 104981439

IUPAC2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCC[C@@H](CO)NC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-2-9(8-17)16-12(18)7-15-13(19)10-5-3-4-6-11(10)14/h3-6,9,17H,2,7-8H2,1H3,(H,15,19)(H,16,18)/t9-/m0/s1
InChIKeyAGZNPZFJIVCUSG-VIFPVBQESA-N
MW268.29 g/mol
LogP0.44
Rot. Bonds6

About 2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 104981439) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID104981439
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCC[C@@H](CO)NC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-2-9(8-17)16-12(18)7-15-13(19)10-5-3-4-6-11(10)14/h3-6,9,17H,2,7-8H2,1H3,(H,15,19)(H,16,18)/t9-/m0/s1
InChIKeyAGZNPZFJIVCUSG-VIFPVBQESA-N
XLogP0.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
CID 61247074
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43387751
(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61153204
methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 9277655
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 42959561
2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
CID 62517227
2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide
CID 46990558
N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294621
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide
CID 110004153

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide (CID 104981439) is 2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide is CC[C@@H](CO)NC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is AGZNPZFJIVCUSG-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-2-9(8-17)16-12(18)7-15-13(19)10-5-3-4-6-11(10)14/h3-6,9,17H,2,7-8H2,1H3,(H,15,19)(H,16,18)/t9-/m0/s1.
What are the key properties of 2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 268.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 104981439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).