(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride

C12H18ClFN2O2 — CID 119318455

IUPAC(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)[C@@H](C)N)cc1F.Cl
InChIInChI=1S/C12H17FN2O2.ClH/c1-8(14)12(16)15-6-5-9-3-4-11(17-2)10(13)7-9;/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16);1H/t8-;/m1./s1
InChIKeySQGDBTIFQUGSDE-DDWIOCJRSA-N
MW276.74 g/mol
LogP1.26
Rot. Bonds5

About (2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119318455) has the molecular formula C12H18ClFN2O2 and a molecular weight of 276.74 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID119318455
Molecular FormulaC12H18ClFN2O2
Molecular Weight276.74 g/mol
Exact Mass276.10
IUPAC Name(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)[C@@H](C)N)cc1F.Cl
InChIInChI=1S/C12H17FN2O2.ClH/c1-8(14)12(16)15-6-5-9-3-4-11(17-2)10(13)7-9;/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16);1H/t8-;/m1./s1
InChIKeySQGDBTIFQUGSDE-DDWIOCJRSA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 120500446
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186690
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158297
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
(2S)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 119299748
(2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 119299762
1-tert-butyl-3-[2-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 110775669
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119730113
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787525
1-(2,2-dimethylpropyl)-3-[2-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 110775671

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride (CID 119318455) is (2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride is COc1ccc(CCNC(=O)[C@@H](C)N)cc1F.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is SQGDBTIFQUGSDE-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H17FN2O2.ClH/c1-8(14)12(16)15-6-5-9-3-4-11(17-2)10(13)7-9;/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 276.74 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119318455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).