3-(2-fluorophenyl)-N-pentylpropanamide

C14H20FNO — CID 94133753

IUPAC3-(2-fluorophenyl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1ccccc1F
InChIInChI=1S/C14H20FNO/c1-2-3-6-11-16-14(17)10-9-12-7-4-5-8-13(12)15/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,16,17)
InChIKeyJUISGEGZUYZDND-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.06
Rot. Bonds7

About 3-(2-fluorophenyl)-N-pentylpropanamide

3-(2-fluorophenyl)-N-pentylpropanamide (PubChem CID 94133753) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-pentylpropanamide
PubChem CID94133753
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(2-fluorophenyl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1ccccc1F
InChIInChI=1S/C14H20FNO/c1-2-3-6-11-16-14(17)10-9-12-7-4-5-8-13(12)15/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,16,17)
InChIKeyJUISGEGZUYZDND-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
CID 110609858
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
CID 100546563
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284
N-[4-(2-fluorophenyl)butyl]-3-(furan-2-yl)propanamide
CID 110616052
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(2-fluorophenyl)propanamide
CID 47041716
3-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172563
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
N-[2-(2-fluorophenyl)ethyl]pentan-1-amine
CID 28576989

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-pentylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-pentylpropanamide (CID 94133753) is 3-(2-fluorophenyl)-N-pentylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-pentylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-pentylpropanamide is CCCCCNC(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-pentylpropanamide?
The InChIKey is JUISGEGZUYZDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-3-6-11-16-14(17)10-9-12-7-4-5-8-13(12)15/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,16,17).
What are the key properties of 3-(2-fluorophenyl)-N-pentylpropanamide?
3-(2-fluorophenyl)-N-pentylpropanamide has a molecular weight of 237.32 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-pentylpropanamide is sourced from PubChem (CID 94133753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).