3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride

C19H24ClFN2O2 — CID 119804745

IUPAC3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(CNC(=O)C(C)C(N)c1ccccc1)Oc1cccc(F)c1.Cl
InChIInChI=1S/C19H23FN2O2.ClH/c1-13(24-17-10-6-9-16(20)11-17)12-22-19(23)14(2)18(21)15-7-4-3-5-8-15;/h3-11,13-14,18H,12,21H2,1-2H3,(H,22,23);1H
InChIKeyLDYJIOROJDXZBA-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.47
Rot. Bonds7

About 3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119804745) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119804745
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC Name3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(CNC(=O)C(C)C(N)c1ccccc1)Oc1cccc(F)c1.Cl
InChIInChI=1S/C19H23FN2O2.ClH/c1-13(24-17-10-6-9-16(20)11-17)12-22-19(23)14(2)18(21)15-7-4-3-5-8-15;/h3-11,13-14,18H,12,21H2,1-2H3,(H,22,23);1H
InChIKeyLDYJIOROJDXZBA-UHFFFAOYSA-N
XLogP3.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119804636
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide
CID 119804637
(2S)-2-amino-N-[2-(3-fluorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335649
(2S)-2-amino-N-[2-(3-fluorophenoxy)propyl]-4-methylsulfanylbutanamide
CID 119335650
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703511
3-amino-N-[2-(3-fluorophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804739
2-amino-N-[2-(4-methoxyphenoxy)propyl]-2-phenylacetamide;hydrochloride
CID 119290481
3-amino-2-methyl-3-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119736709
3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119804745) is 3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride is CC(CNC(=O)C(C)C(N)c1ccccc1)Oc1cccc(F)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is LDYJIOROJDXZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2.ClH/c1-13(24-17-10-6-9-16(20)11-17)12-22-19(23)14(2)18(21)15-7-4-3-5-8-15;/h3-11,13-14,18H,12,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 366.86 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119804745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).