N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride

C18H22ClFN2O2 — CID 120649975

IUPACN-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)COc1ccccc1F
InChIInChI=1S/C18H21FN2O2.ClH/c19-16-9-4-5-10-17(16)23-14-18(22)21(12-6-11-20)13-15-7-2-1-3-8-15;/h1-5,7-10H,6,11-14,20H2;1H
InChIKeyFJNMSMZKKBNAHE-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.00
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride (PubChem CID 120649975) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride
PubChem CID120649975
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)COc1ccccc1F
InChIInChI=1S/C18H21FN2O2.ClH/c19-16-9-4-5-10-17(16)23-14-18(22)21(12-6-11-20)13-15-7-2-1-3-8-15;/h1-5,7-10H,6,11-14,20H2;1H
InChIKeyFJNMSMZKKBNAHE-UHFFFAOYSA-N
XLogP3.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
N-(2-aminoethyl)-2-(2-fluorophenoxy)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884947
N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
CID 120649279
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 120649599
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]-4-fluorobenzamide
CID 120649087
N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide
CID 120649399
N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide
CID 120886664
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057
N-benzyl-N-(2-hydroxyethyl)-2-(2-phenylphenoxy)acetamide
CID 78796373
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride (CID 120649975) is N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)C(=O)COc1ccccc1F.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride?
The InChIKey is FJNMSMZKKBNAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2.ClH/c19-16-9-4-5-10-17(16)23-14-18(22)21(12-6-11-20)13-15-7-2-1-3-8-15;/h1-5,7-10H,6,11-14,20H2;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 120649975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).