2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide

C18H20BrFN2O — CID 120591123

IUPAC2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C18H20BrFN2O/c1-3-22(12-13-11-15(19)9-10-16(13)20)17(23)18(2,21)14-7-5-4-6-8-14/h4-11H,3,12,21H2,1-2H3
InChIKeyQPBZKVCWUJOHFG-UHFFFAOYSA-N
MW379.27 g/mol
LogP3.81
Rot. Bonds5

About 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide

2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide (PubChem CID 120591123) has the molecular formula C18H20BrFN2O and a molecular weight of 379.27 g/mol. Its IUPAC name is 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide
PubChem CID120591123
Molecular FormulaC18H20BrFN2O
Molecular Weight379.27 g/mol
Exact Mass378.07
IUPAC Name2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C18H20BrFN2O/c1-3-22(12-13-11-15(19)9-10-16(13)20)17(23)18(2,21)14-7-5-4-6-8-14/h4-11H,3,12,21H2,1-2H3
InChIKeyQPBZKVCWUJOHFG-UHFFFAOYSA-N
XLogP3.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 119764808
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 120586900
1-(5-bromo-2-fluorophenyl)-2-phenylpropan-2-amine
CID 55096060
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-oxidopyridin-1-ium-2-carboxamide
CID 60506604
3-[(5-bromo-2-fluorophenyl)methyl-ethylamino]-2-hydroxy-2-methylpropanoic acid
CID 146134894
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-nitrobenzamide
CID 55587717
N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178878
2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid
CID 63645589
1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine
CID 63408200
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154702
1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride
CID 119312671

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide (CID 120591123) is 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide is CCN(Cc1cc(Br)ccc1F)C(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide?
The InChIKey is QPBZKVCWUJOHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O/c1-3-22(12-13-11-15(19)9-10-16(13)20)17(23)18(2,21)14-7-5-4-6-8-14/h4-11H,3,12,21H2,1-2H3.
What are the key properties of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide?
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide has a molecular weight of 379.27 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide is sourced from PubChem (CID 120591123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).