(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide

C13H17F2NO2 — CID 95973725

IUPAC(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
SMILESCCCCNC(=O)[C@H](C)Oc1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO2/c1-3-4-7-16-13(17)9(2)18-12-8-10(14)5-6-11(12)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyGWTXNZNJSDANGD-VIFPVBQESA-N
MW257.28 g/mol
LogP2.65
Rot. Bonds6

About (2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide

(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide (PubChem CID 95973725) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is (2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
PubChem CID95973725
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
SMILESCCCCNC(=O)[C@H](C)Oc1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO2/c1-3-4-7-16-13(17)9(2)18-12-8-10(14)5-6-11(12)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyGWTXNZNJSDANGD-VIFPVBQESA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide
CID 81495069
N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide
CID 107695175
2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide
CID 63598119
2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide
CID 115679511
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide
CID 107171439
2-(2,5-difluorophenoxy)propanamide
CID 63269491
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
N-butyl-2-(4-cyano-2-fluorophenoxy)propanamide
CID 103792212
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63364873
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide?
The IUPAC name of (2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide (CID 95973725) is (2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide is CCCCNC(=O)[C@H](C)Oc1cc(F)ccc1F.
What is the InChIKey of (2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide?
The InChIKey is GWTXNZNJSDANGD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-3-4-7-16-13(17)9(2)18-12-8-10(14)5-6-11(12)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide?
(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide has a molecular weight of 257.28 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide is sourced from PubChem (CID 95973725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).