(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride

C11H16ClFN2O — CID 119268141

IUPAC(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
SMILESC[C@@H](N)C(=O)N(C)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-8(13)11(15)14(2)7-9-3-5-10(12)6-4-9;/h3-6,8H,7,13H2,1-2H3;1H/t8-;/m1./s1
InChIKeyUPBNASJZECQDKR-DDWIOCJRSA-N
MW246.71 g/mol
LogP1.55
Rot. Bonds3

About (2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride

(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride (PubChem CID 119268141) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
PubChem CID119268141
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
SMILESC[C@@H](N)C(=O)N(C)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-8(13)11(15)14(2)7-9-3-5-10(12)6-4-9;/h3-6,8H,7,13H2,1-2H3;1H/t8-;/m1./s1
InChIKeyUPBNASJZECQDKR-DDWIOCJRSA-N
XLogP1.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride (CID 119268141) is (2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride is C[C@@H](N)C(=O)N(C)Cc1ccc(F)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride?
The InChIKey is UPBNASJZECQDKR-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c1-8(13)11(15)14(2)7-9-3-5-10(12)6-4-9;/h3-6,8H,7,13H2,1-2H3;1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride?
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride has a molecular weight of 246.71 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119268141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).