3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide

C14H20FNO — CID 94133800

IUPAC3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
SMILESCCC[C@@H](C)NC(=O)CCc1ccccc1F
InChIInChI=1S/C14H20FNO/c1-3-6-11(2)16-14(17)10-9-12-7-4-5-8-13(12)15/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyMALXOROZDOAMMC-LLVKDONJSA-N
MW237.32 g/mol
LogP3.06
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide

3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide (PubChem CID 94133800) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
PubChem CID94133800
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
SMILESCCC[C@@H](C)NC(=O)CCc1ccccc1F
InChIInChI=1S/C14H20FNO/c1-3-6-11(2)16-14(17)10-9-12-7-4-5-8-13(12)15/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyMALXOROZDOAMMC-LLVKDONJSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride
CID 120609030
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
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3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
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CID 121021346
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
CID 100546563
N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 133251866
3-[3-(2-fluorophenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461619
3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38196539

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide (CID 94133800) is 3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide is CCC[C@@H](C)NC(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide?
The InChIKey is MALXOROZDOAMMC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-6-11(2)16-14(17)10-9-12-7-4-5-8-13(12)15/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide?
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide has a molecular weight of 237.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide is sourced from PubChem (CID 94133800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).