2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride

C18H22ClFN2O — CID 120589650

IUPAC2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride
SMILESCN(CCc1ccc(F)cc1)C(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-18(20,15-6-4-3-5-7-15)17(22)21(2)13-12-14-8-10-16(19)11-9-14;/h3-11H,12-13,20H2,1-2H3;1H
InChIKeyYLHIOSFKVBLBDU-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.12
Rot. Bonds5

About 2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride

2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride (PubChem CID 120589650) has the molecular formula C18H22ClFN2O and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride
PubChem CID120589650
Molecular FormulaC18H22ClFN2O
Molecular Weight336.84 g/mol
Exact Mass336.14
IUPAC Name2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride
SMILESCN(CCc1ccc(F)cc1)C(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-18(20,15-6-4-3-5-7-15)17(22)21(2)13-12-14-8-10-16(19)11-9-14;/h3-11H,12-13,20H2,1-2H3;1H
InChIKeyYLHIOSFKVBLBDU-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide
CID 120591489
2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
3-amino-N-[2-(4-fluorophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155081
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 120590580
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
CID 120589459
3-[2-(4-fluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 115163578
2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
CID 120597643
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589610
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 64519424
2-amino-N-methyl-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120587851

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride (CID 120589650) is 2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride is CN(CCc1ccc(F)cc1)C(=O)C(C)(N)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride?
The InChIKey is YLHIOSFKVBLBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O.ClH/c1-18(20,15-6-4-3-5-7-15)17(22)21(2)13-12-14-8-10-16(19)11-9-14;/h3-11H,12-13,20H2,1-2H3;1H.
What are the key properties of 2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride?
2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120589650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).