3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride

C18H22ClFN2O — CID 120609030

IUPAC3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride
SMILESCC(Cc1ccccc1F)NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-13(12-15-7-2-4-8-16(15)19)21-18(22)11-10-14-6-3-5-9-17(14)20;/h2-9,13H,10-12,20H2,1H3,(H,21,22);1H
InChIKeyGLCFSWPKCWDFNY-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.51
Rot. Bonds6

About 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride (PubChem CID 120609030) has the molecular formula C18H22ClFN2O and a molecular weight of 336.84 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride
PubChem CID120609030
Molecular FormulaC18H22ClFN2O
Molecular Weight336.84 g/mol
Exact Mass336.14
IUPAC Name3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride
SMILESCC(Cc1ccccc1F)NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-13(12-15-7-2-4-8-16(15)19)21-18(22)11-10-14-6-3-5-9-17(14)20;/h2-9,13H,10-12,20H2,1H3,(H,21,22);1H
InChIKeyGLCFSWPKCWDFNY-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
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3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
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3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
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3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide
CID 86828580
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
CID 121021346

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride (CID 120609030) is 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride is CC(Cc1ccccc1F)NC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride?
The InChIKey is GLCFSWPKCWDFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O.ClH/c1-13(12-15-7-2-4-8-16(15)19)21-18(22)11-10-14-6-3-5-9-17(14)20;/h2-9,13H,10-12,20H2,1H3,(H,21,22);1H.
What are the key properties of 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 120609030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).