3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride

C18H22ClFN2O2 — CID 119735720

IUPAC3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NC(COc1ccccc1F)c1ccccc1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-13(20)11-18(22)21-16(14-7-3-2-4-8-14)12-23-17-10-6-5-9-15(17)19;/h2-10,13,16H,11-12,20H2,1H3,(H,21,22);1H
InChIKeyLBJZVCJWYGIVSN-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.22
Rot. Bonds7

About 3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride

3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride (PubChem CID 119735720) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride
PubChem CID119735720
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC Name3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NC(COc1ccccc1F)c1ccccc1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-13(20)11-18(22)21-16(14-7-3-2-4-8-14)12-23-17-10-6-5-9-15(17)19;/h2-10,13,16H,11-12,20H2,1H3,(H,21,22);1H
InChIKeyLBJZVCJWYGIVSN-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 146083123
methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 94612751
N-[2-(2-fluorophenoxy)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119735718
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 119735715
N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(2-hydroxyphenyl)propanamide
CID 112835967
methyl (3S)-3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 51558007
propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 55439728
2-(4-cyanophenoxy)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 55737345
2-(2-fluorophenoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103772671
3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
2-[[2-(2-fluorophenoxy)-1-phenylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181692
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride (CID 119735720) is 3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride is CC(N)CC(=O)NC(COc1ccccc1F)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride?
The InChIKey is LBJZVCJWYGIVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2.ClH/c1-13(20)11-18(22)21-16(14-7-3-2-4-8-14)12-23-17-10-6-5-9-15(17)19;/h2-10,13,16H,11-12,20H2,1H3,(H,21,22);1H.
What are the key properties of 3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride?
3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 3.22, 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-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride is sourced from PubChem (CID 119735720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).