2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide

C13H18FNO — CID 92647594

IUPAC2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-3-5-10(2)15-13(16)9-11-6-4-7-12(14)8-11/h4,6-8,10H,3,5,9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyGLCDTORRHOQMBT-JTQLQIEISA-N
MW223.29 g/mol
LogP2.67
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide

2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide (PubChem CID 92647594) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
PubChem CID92647594
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-3-5-10(2)15-13(16)9-11-6-4-7-12(14)8-11/h4,6-8,10H,3,5,9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyGLCDTORRHOQMBT-JTQLQIEISA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide 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

N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 83180361
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
(3S)-3-[[2-(3-fluorophenyl)acetyl]amino]hexanoic acid
CID 97328206
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 62092603
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
CID 42961637
2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255031
N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
CID 61119665
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394
methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate
CID 134130479
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide
CID 86894208
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide (CID 92647594) is 2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide is CCC[C@H](C)NC(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide?
The InChIKey is GLCDTORRHOQMBT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-5-10(2)15-13(16)9-11-6-4-7-12(14)8-11/h4,6-8,10H,3,5,9H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide?
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide has a molecular weight of 223.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide is sourced from PubChem (CID 92647594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).