N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride

C11H15ClF2N2O — CID 120507911

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)Cc1cc(F)ccc1F.Cl
InChIInChI=1S/C11H14F2N2O.ClH/c1-7(6-14)15-11(16)5-8-4-9(12)2-3-10(8)13;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1
InChIKeyFPSSUDHQKAPWET-FJXQXJEOSA-N
MW264.70 g/mol
LogP1.39
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride (PubChem CID 120507911) has the molecular formula C11H15ClF2N2O and a molecular weight of 264.70 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
PubChem CID120507911
Molecular FormulaC11H15ClF2N2O
Molecular Weight264.70 g/mol
Exact Mass264.08
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)Cc1cc(F)ccc1F.Cl
InChIInChI=1S/C11H14F2N2O.ClH/c1-7(6-14)15-11(16)5-8-4-9(12)2-3-10(8)13;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1
InChIKeyFPSSUDHQKAPWET-FJXQXJEOSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104868144
2-(2,5-difluorophenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120831286
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114299394
N-(2-amino-2-methylpropyl)-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119627760
2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide
CID 55034612
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride (CID 120507911) is N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride is C[C@@H](CN)NC(=O)Cc1cc(F)ccc1F.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride?
The InChIKey is FPSSUDHQKAPWET-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H14F2N2O.ClH/c1-7(6-14)15-11(16)5-8-4-9(12)2-3-10(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-(2,5-difluorophenyl)acetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride has a molecular weight of 264.70 g/mol, XLogP of 1.39, 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-(2,5-difluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120507911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).