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

C19H24ClFN2O2 — CID 119952317

IUPAC3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride
SMILESCCC(CNC(=O)CC(N)c1ccccc1)Oc1cccc(F)c1.Cl
InChIInChI=1S/C19H23FN2O2.ClH/c1-2-16(24-17-10-6-9-15(20)11-17)13-22-19(23)12-18(21)14-7-4-3-5-8-14;/h3-11,16,18H,2,12-13,21H2,1H3,(H,22,23);1H
InChIKeyDECIILFJEXXKNU-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.61
Rot. Bonds8

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

3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119952317) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride
PubChem CID119952317
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC Name3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride
SMILESCCC(CNC(=O)CC(N)c1ccccc1)Oc1cccc(F)c1.Cl
InChIInChI=1S/C19H23FN2O2.ClH/c1-2-16(24-17-10-6-9-15(20)11-17)13-22-19(23)12-18(21)14-7-4-3-5-8-14;/h3-11,16,18H,2,12-13,21H2,1H3,(H,22,23);1H
InChIKeyDECIILFJEXXKNU-UHFFFAOYSA-N
XLogP3.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-fluorophenoxy)butyl]-2-phenylpropanamide
CID 120593918
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide
CID 119951958
N-[(2R)-2-(3-fluorophenoxy)butyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 97016414
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 111974568
4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide
CID 120593422
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
1-[2-(3-fluorophenoxy)butyl]-2,3-dimethylguanidine
CID 111970146
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride (CID 119952317) is 3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride is CCC(CNC(=O)CC(N)c1ccccc1)Oc1cccc(F)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is DECIILFJEXXKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2.ClH/c1-2-16(24-17-10-6-9-15(20)11-17)13-22-19(23)12-18(21)14-7-4-3-5-8-14;/h3-11,16,18H,2,12-13,21H2,1H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 366.86 g/mol, XLogP of 3.61, 8 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)butyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119952317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).