2-amino-N-(2-fluorophenyl)propanamide;hydrochloride

C9H12ClFN2O — CID 75973817

IUPAC2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1ccccc1F.Cl
InChIInChI=1S/C9H11FN2O.ClH/c1-6(11)9(13)12-8-5-3-2-4-7(8)10;/h2-6H,11H2,1H3,(H,12,13);1H
InChIKeyYTIRTTVNYWABCL-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-N-(2-fluorophenyl)propanamide;hydrochloride

2-amino-N-(2-fluorophenyl)propanamide;hydrochloride (PubChem CID 75973817) has the molecular formula C9H12ClFN2O and a molecular weight of 218.66 g/mol. Its IUPAC name is 2-amino-N-(2-fluorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
PubChem CID75973817
Molecular FormulaC9H12ClFN2O
Molecular Weight218.66 g/mol
Exact Mass218.06
IUPAC Name2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1ccccc1F.Cl
InChIInChI=1S/C9H11FN2O.ClH/c1-6(11)9(13)12-8-5-3-2-4-7(8)10;/h2-6H,11H2,1H3,(H,12,13);1H
InChIKeyYTIRTTVNYWABCL-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide
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2-amino-N-(2-methylphenyl)propanamide;hydrochloride
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2-amino-N-(2-fluorophenyl)-3-methylpentanamide
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2-amino-N-(2,6-difluorophenyl)propanamide
CID 43087644
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(2S)-2-amino-N-(2-bromophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluorophenyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-fluorophenyl)propanamide;hydrochloride (CID 75973817) is 2-amino-N-(2-fluorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-fluorophenyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-fluorophenyl)propanamide;hydrochloride is CC(N)C(=O)Nc1ccccc1F.Cl.
What is the InChIKey of 2-amino-N-(2-fluorophenyl)propanamide;hydrochloride?
The InChIKey is YTIRTTVNYWABCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O.ClH/c1-6(11)9(13)12-8-5-3-2-4-7(8)10;/h2-6H,11H2,1H3,(H,12,13);1H.
What are the key properties of 2-amino-N-(2-fluorophenyl)propanamide;hydrochloride?
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride has a molecular weight of 218.66 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 75973817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).