2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide

C14H20F2N2O2 — CID 63598119

IUPAC2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1cc(F)c(N)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-3-4-5-6-18-14(19)9(2)20-13-8-10(15)12(17)7-11(13)16/h7-9H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyIBKBUFXTPVNEKF-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.62
Rot. Bonds7

About 2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide

2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide (PubChem CID 63598119) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide
PubChem CID63598119
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1cc(F)c(N)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-3-4-5-6-18-14(19)9(2)20-13-8-10(15)12(17)7-11(13)16/h7-9H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyIBKBUFXTPVNEKF-UHFFFAOYSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide
CID 63598467
(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide
CID 115679511
2-(5-bromo-2,3-difluorophenoxy)-N-pentylpropanamide
CID 107098793
2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide
CID 63598648
N-butyl-2-(4-cyano-2-fluorophenoxy)propanamide
CID 103792212
2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide
CID 81495069
5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide
CID 106956230
N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide
CID 107171439
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
CID 107715865

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide?
The IUPAC name of 2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide (CID 63598119) is 2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide.
What is the SMILES notation for 2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide?
The canonical SMILES for 2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide is CCCCCNC(=O)C(C)Oc1cc(F)c(N)cc1F.
What is the InChIKey of 2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide?
The InChIKey is IBKBUFXTPVNEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-3-4-5-6-18-14(19)9(2)20-13-8-10(15)12(17)7-11(13)16/h7-9H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide?
2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide has a molecular weight of 286.32 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide is sourced from PubChem (CID 63598119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).