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

C16H16BrFN2O — CID 9253204

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C16H16BrFN2O/c1-20(10-12-2-4-13(17)5-3-12)11-16(21)19-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyUSCMDPFGUCSVRS-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.66
Rot. Bonds5

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

2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 9253204) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID9253204
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C16H16BrFN2O/c1-20(10-12-2-4-13(17)5-3-12)11-16(21)19-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyUSCMDPFGUCSVRS-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
CID 2657336
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2698696
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide (CID 9253204) is 2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is USCMDPFGUCSVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-20(10-12-2-4-13(17)5-3-12)11-16(21)19-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 351.22 g/mol, XLogP of 3.66, 5 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9253204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).