2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide

C18H20BrFN2O — CID 2541418

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(F)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C18H20BrFN2O/c1-22(12-15-2-6-16(19)7-3-15)13-18(23)21-11-10-14-4-8-17(20)9-5-14/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyORAXWZJYFAYEQJ-UHFFFAOYSA-N
MW379.27 g/mol
LogP3.38
Rot. Bonds7

About 2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 2541418) has the molecular formula C18H20BrFN2O and a molecular weight of 379.27 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID2541418
Molecular FormulaC18H20BrFN2O
Molecular Weight379.27 g/mol
Exact Mass378.07
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(F)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C18H20BrFN2O/c1-22(12-15-2-6-16(19)7-3-15)13-18(23)21-11-10-14-4-8-17(20)9-5-14/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyORAXWZJYFAYEQJ-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
N-[2-(4-fluorophenyl)ethyl]-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334683
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18088505
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18088813
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 18088830
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9196994
methyl 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]butanoate
CID 8539784
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 2541418) is 2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide is CN(CC(=O)NCCc1ccc(F)cc1)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is ORAXWZJYFAYEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O/c1-22(12-15-2-6-16(19)7-3-15)13-18(23)21-11-10-14-4-8-17(20)9-5-14/h2-9H,10-13H2,1H3,(H,21,23).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 379.27 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 2541418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).