2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride

C18H22ClFN2O2 — CID 120589076

IUPAC2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCOc1ccc(F)cc1C(C)NC(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-12(15-11-14(19)9-10-16(15)23-3)21-17(22)18(2,20)13-7-5-4-6-8-13;/h4-12H,20H2,1-3H3,(H,21,22);1H
InChIKeyYUDVWCPLUOYXKB-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.31
Rot. Bonds5

About 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120589076) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride
PubChem CID120589076
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC Name2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCOc1ccc(F)cc1C(C)NC(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-12(15-11-14(19)9-10-16(15)23-3)21-17(22)18(2,20)13-7-5-4-6-8-13;/h4-12H,20H2,1-3H3,(H,21,22);1H
InChIKeyYUDVWCPLUOYXKB-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 120586910
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
2-amino-N-[1-(2-methylphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120587054
2-amino-N-[1-(3-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62488779
(2R)-2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119292617
2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387957
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
2-amino-2-ethyl-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 79815252
2-amino-2-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387544
(2R)-2-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-2-phenylacetamide
CID 94599176
(2R)-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-2-phenylacetamide
CID 94599175
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride (CID 120589076) is 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride is COc1ccc(F)cc1C(C)NC(=O)C(C)(N)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is YUDVWCPLUOYXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2.ClH/c1-12(15-11-14(19)9-10-16(15)23-3)21-17(22)18(2,20)13-7-5-4-6-8-13;/h4-12H,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120589076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).