(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride

C12H18ClFN2O — CID 119263958

IUPAC(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCCc1ccc(F)cc1.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-2-11(14)12(16)15-8-7-9-3-5-10(13)6-4-9;/h3-6,11H,2,7-8,14H2,1H3,(H,15,16);1H/t11-;/m0./s1
InChIKeyYTJKGDOQFWQLGY-MERQFXBCSA-N
MW260.74 g/mol
LogP1.64
Rot. Bonds5

About (2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride

(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride (PubChem CID 119263958) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
PubChem CID119263958
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCCc1ccc(F)cc1.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-2-11(14)12(16)15-8-7-9-3-5-10(13)6-4-9;/h3-6,11H,2,7-8,14H2,1H3,(H,15,16);1H/t11-;/m0./s1
InChIKeyYTJKGDOQFWQLGY-MERQFXBCSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296
2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 43649353
N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186683
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 156533963
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
2-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylbutanoic acid
CID 115186267
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride (CID 119263958) is (2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride is CC[C@H](N)C(=O)NCCc1ccc(F)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride?
The InChIKey is YTJKGDOQFWQLGY-MERQFXBCSA-N. The full InChI is InChI=1S/C12H17FN2O.ClH/c1-2-11(14)12(16)15-8-7-9-3-5-10(13)6-4-9;/h3-6,11H,2,7-8,14H2,1H3,(H,15,16);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride?
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride has a molecular weight of 260.74 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119263958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).