(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride

C13H20ClFN2O2 — CID 119340588

IUPAC(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
SMILESCCC(CNC(=O)[C@H](C)N)Oc1ccccc1F.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-3-10(8-16-13(17)9(2)15)18-12-7-5-4-6-11(12)14;/h4-7,9-10H,3,8,15H2,1-2H3,(H,16,17);1H/t9-,10?;/m0./s1
InChIKeyZCNFMIWPLMZLQX-KKFCBZOWSA-N
MW290.77 g/mol
LogP1.87
Rot. Bonds6

About (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride

(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride (PubChem CID 119340588) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
PubChem CID119340588
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC Name(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
SMILESCCC(CNC(=O)[C@H](C)N)Oc1ccccc1F.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-3-10(8-16-13(17)9(2)15)18-12-7-5-4-6-11(12)14;/h4-7,9-10H,3,8,15H2,1-2H3,(H,16,17);1H/t9-,10?;/m0./s1
InChIKeyZCNFMIWPLMZLQX-KKFCBZOWSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide
CID 119340597
N-[2-(2-fluorophenoxy)butyl]-4-(methylamino)butanamide;hydrochloride
CID 119813320
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
CID 119813247
N-[2-(2-fluorophenoxy)butyl]furan-3-carboxamide
CID 71979262
2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187038
3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119813326
3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
CID 119813328
N-[2-(2-fluorophenoxy)butyl]oxolane-2-carboxamide
CID 71863283

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride (CID 119340588) is (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride is CCC(CNC(=O)[C@H](C)N)Oc1ccccc1F.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride?
The InChIKey is ZCNFMIWPLMZLQX-KKFCBZOWSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-3-10(8-16-13(17)9(2)15)18-12-7-5-4-6-11(12)14;/h4-7,9-10H,3,8,15H2,1-2H3,(H,16,17);1H/t9-,10?;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride is sourced from PubChem (CID 119340588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).