N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride

C11H15Cl2FN2O — CID 120505968

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)Cc1c(F)cccc1Cl.Cl
InChIInChI=1S/C11H14ClFN2O.ClH/c1-7(6-14)15-11(16)5-8-9(12)3-2-4-10(8)13;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1
InChIKeyOMWYQYIOHQWSAH-FJXQXJEOSA-N
MW281.16 g/mol
LogP1.91
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride (PubChem CID 120505968) has the molecular formula C11H15Cl2FN2O and a molecular weight of 281.16 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
PubChem CID120505968
Molecular FormulaC11H15Cl2FN2O
Molecular Weight281.16 g/mol
Exact Mass280.05
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)Cc1c(F)cccc1Cl.Cl
InChIInChI=1S/C11H14ClFN2O.ClH/c1-7(6-14)15-11(16)5-8-9(12)3-2-4-10(8)13;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1
InChIKeyOMWYQYIOHQWSAH-FJXQXJEOSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
2-(2-chloro-6-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2575385
2-(2-chloro-6-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2575382
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
CID 8750460
N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 43297617
2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175
5-amino-1-(2-chloro-6-fluorophenyl)-4-methylpentan-2-one
CID 116596491
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467796

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride (CID 120505968) is N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride is C[C@@H](CN)NC(=O)Cc1c(F)cccc1Cl.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride?
The InChIKey is OMWYQYIOHQWSAH-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H14ClFN2O.ClH/c1-7(6-14)15-11(16)5-8-9(12)3-2-4-10(8)13;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride has a molecular weight of 281.16 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120505968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).