(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride

C12H16ClFN2O2 — CID 119322941

IUPAC(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NC1CCOc2ccc(F)cc21.Cl
InChIInChI=1S/C12H15FN2O2.ClH/c1-7(14)12(16)15-10-4-5-17-11-3-2-8(13)6-9(10)11;/h2-3,6-7,10H,4-5,14H2,1H3,(H,15,16);1H/t7-,10?;/m1./s1
InChIKeyVYOYNOIGHCNCGP-OBENABSUSA-N
MW274.72 g/mol
LogP1.53
Rot. Bonds2

About (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride

(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride (PubChem CID 119322941) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
PubChem CID119322941
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NC1CCOc2ccc(F)cc21.Cl
InChIInChI=1S/C12H15FN2O2.ClH/c1-7(14)12(16)15-10-4-5-17-11-3-2-8(13)6-9(10)11;/h2-3,6-7,10H,4-5,14H2,1H3,(H,15,16);1H/t7-,10?;/m1./s1
InChIKeyVYOYNOIGHCNCGP-OBENABSUSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-hydroxypropanamide
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2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
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benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
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N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride (CID 119322941) is (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride is C[C@@H](N)C(=O)NC1CCOc2ccc(F)cc21.Cl.
What is the InChIKey of (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride?
The InChIKey is VYOYNOIGHCNCGP-OBENABSUSA-N. The full InChI is InChI=1S/C12H15FN2O2.ClH/c1-7(14)12(16)15-10-4-5-17-11-3-2-8(13)6-9(10)11;/h2-3,6-7,10H,4-5,14H2,1H3,(H,15,16);1H/t7-,10?;/m1./s1.
What are the key properties of (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride?
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride has a molecular weight of 274.72 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 119322941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).