(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride

C11H15Cl2FN2O — CID 119267721

IUPAC(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(C)Cc1c(F)cccc1Cl.Cl
InChIInChI=1S/C11H14ClFN2O.ClH/c1-7(14)11(16)15(2)6-8-9(12)4-3-5-10(8)13;/h3-5,7H,6,14H2,1-2H3;1H/t7-;/m0./s1
InChIKeyDRKPBPNNLIQBLZ-FJXQXJEOSA-N
MW281.16 g/mol
LogP2.21
Rot. Bonds3

About (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride

(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride (PubChem CID 119267721) has the molecular formula C11H15Cl2FN2O and a molecular weight of 281.16 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
PubChem CID119267721
Molecular FormulaC11H15Cl2FN2O
Molecular Weight281.16 g/mol
Exact Mass280.05
IUPAC Name(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(C)Cc1c(F)cccc1Cl.Cl
InChIInChI=1S/C11H14ClFN2O.ClH/c1-7(14)11(16)15(2)6-8-9(12)4-3-5-10(8)13;/h3-5,7H,6,14H2,1-2H3;1H/t7-;/m0./s1
InChIKeyDRKPBPNNLIQBLZ-FJXQXJEOSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide
CID 77144367
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 93367493
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 65229679
N-[1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55330671
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 112811066
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate
CID 82115903
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride (CID 119267721) is (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride is C[C@H](N)C(=O)N(C)Cc1c(F)cccc1Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride?
The InChIKey is DRKPBPNNLIQBLZ-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H14ClFN2O.ClH/c1-7(14)11(16)15(2)6-8-9(12)4-3-5-10(8)13;/h3-5,7H,6,14H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride?
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride has a molecular weight of 281.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119267721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).