N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide

C17H26FNO — CID 100546563

IUPACN-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
SMILESCCCCC(CC)CNC(=O)CCc1ccccc1F
InChIInChI=1S/C17H26FNO/c1-3-5-8-14(4-2)13-19-17(20)12-11-15-9-6-7-10-16(15)18/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,19,20)
InChIKeyHYBQCVWYMORMFL-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.09
Rot. Bonds9

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

N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide (PubChem CID 100546563) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
PubChem CID100546563
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
SMILESCCCCC(CC)CNC(=O)CCc1ccccc1F
InChIInChI=1S/C17H26FNO/c1-3-5-8-14(4-2)13-19-17(20)12-11-15-9-6-7-10-16(15)18/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,19,20)
InChIKeyHYBQCVWYMORMFL-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride
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N-[(2R)-2-ethylhexyl]-2-naphthalen-1-ylacetamide
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3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
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3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide
CID 94107192
N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide
CID 97038167
4-amino-N-(2-ethylhexyl)butanamide
CID 61249429
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propyl]propanamide
CID 110279623
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide
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4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
CID 119261618

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide (CID 100546563) is N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide is CCCCC(CC)CNC(=O)CCc1ccccc1F.
What is the InChIKey of N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is HYBQCVWYMORMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-5-8-14(4-2)13-19-17(20)12-11-15-9-6-7-10-16(15)18/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,19,20).
What are the key properties of N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide?
N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 279.40 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 100546563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).