3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride

C19H24ClFN2O — CID 119951826

IUPAC3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C)(CNC(=O)CC(N)c1ccccc1)c1cccc(F)c1.Cl
InChIInChI=1S/C19H23FN2O.ClH/c1-19(2,15-9-6-10-16(20)11-15)13-22-18(23)12-17(21)14-7-4-3-5-8-14;/h3-11,17H,12-13,21H2,1-2H3,(H,22,23);1H
InChIKeyXRHJFZRUDTUJJE-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.73
Rot. Bonds6

About 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119951826) has the molecular formula C19H24ClFN2O and a molecular weight of 350.87 g/mol. Its IUPAC name is 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
PubChem CID119951826
Molecular FormulaC19H24ClFN2O
Molecular Weight350.87 g/mol
Exact Mass350.16
IUPAC Name3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C)(CNC(=O)CC(N)c1ccccc1)c1cccc(F)c1.Cl
InChIInChI=1S/C19H23FN2O.ClH/c1-19(2,15-9-6-10-16(20)11-15)13-22-18(23)12-17(21)14-7-4-3-5-8-14;/h3-11,17H,12-13,21H2,1-2H3,(H,22,23);1H
InChIKeyXRHJFZRUDTUJJE-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide
CID 119951809
3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119950814
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120990280
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 119330600
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
CID 119796151
3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 119951094
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride (CID 119951826) is 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride is CC(C)(CNC(=O)CC(N)c1ccccc1)c1cccc(F)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is XRHJFZRUDTUJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O.ClH/c1-19(2,15-9-6-10-16(20)11-15)13-22-18(23)12-17(21)14-7-4-3-5-8-14;/h3-11,17H,12-13,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).