N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide

C12H16FNO — CID 94102090

IUPACN-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
SMILESCC[C@@H](C)NC(=O)Cc1ccccc1F
InChIInChI=1S/C12H16FNO/c1-3-9(2)14-12(15)8-10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyNTUYIRKVIRVWHP-SECBINFHSA-N
MW209.26 g/mol
LogP2.28
Rot. Bonds4

About N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide

N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 94102090) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
PubChem CID94102090
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
SMILESCC[C@@H](C)NC(=O)Cc1ccccc1F
InChIInChI=1S/C12H16FNO/c1-3-9(2)14-12(15)8-10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyNTUYIRKVIRVWHP-SECBINFHSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide
CID 114316527
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 61118898
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 113119070
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
2-(2-fluorophenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 84915033
2-(2-fluorophenyl)-N-[1-(2-methylphenyl)propyl]acetamide
CID 133167009
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide (CID 94102090) is N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide is CC[C@@H](C)NC(=O)Cc1ccccc1F.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is NTUYIRKVIRVWHP-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-9(2)14-12(15)8-10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide?
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 209.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 94102090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).