3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide

C18H20BrFN2O — CID 119745605

IUPAC3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCCc1cc(Br)ccc1F)C(N)c1ccccc1
InChIInChI=1S/C18H20BrFN2O/c1-12(17(21)13-5-3-2-4-6-13)18(23)22-10-9-14-11-15(19)7-8-16(14)20/h2-8,11-12,17H,9-10,21H2,1H3,(H,22,23)
InChIKeyFGRFNKJCNXSTGS-UHFFFAOYSA-N
MW379.27 g/mol
LogP3.58
Rot. Bonds6

About 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide

3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide (PubChem CID 119745605) has the molecular formula C18H20BrFN2O and a molecular weight of 379.27 g/mol. Its IUPAC name is 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
PubChem CID119745605
Molecular FormulaC18H20BrFN2O
Molecular Weight379.27 g/mol
Exact Mass378.07
IUPAC Name3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCCc1cc(Br)ccc1F)C(N)c1ccccc1
InChIInChI=1S/C18H20BrFN2O/c1-12(17(21)13-5-3-2-4-6-13)18(23)22-10-9-14-11-15(19)7-8-16(14)20/h2-8,11-12,17H,9-10,21H2,1H3,(H,22,23)
InChIKeyFGRFNKJCNXSTGS-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 95153820
3-[2-(5-bromo-2-fluorophenyl)ethylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189514
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119745625
3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116599000
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119886342
3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119736260
3-amino-2-methyl-N-[2-(2-nitrophenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119802876
3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119705610
ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
CID 110792453
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119788038
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide
CID 80552252
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide (CID 119745605) is 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide is CC(C(=O)NCCc1cc(Br)ccc1F)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is FGRFNKJCNXSTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O/c1-12(17(21)13-5-3-2-4-6-13)18(23)22-10-9-14-11-15(19)7-8-16(14)20/h2-8,11-12,17H,9-10,21H2,1H3,(H,22,23).
What are the key properties of 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 379.27 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119745605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).