2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C17H16BrF3N2O — CID 26600898

IUPAC2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1Br
InChIInChI=1S/C17H16BrF3N2O/c1-23(10-12-6-2-4-8-14(12)18)11-16(24)22-15-9-5-3-7-13(15)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyKSZIBZBUPIQBHK-UHFFFAOYSA-N
MW401.23 g/mol
LogP4.54
Rot. Bonds5

About 2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 26600898) has the molecular formula C17H16BrF3N2O and a molecular weight of 401.23 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID26600898
Molecular FormulaC17H16BrF3N2O
Molecular Weight401.23 g/mol
Exact Mass400.04
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1Br
InChIInChI=1S/C17H16BrF3N2O/c1-23(10-12-6-2-4-8-14(12)18)11-16(24)22-15-9-5-3-7-13(15)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyKSZIBZBUPIQBHK-UHFFFAOYSA-N
XLogP4.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 27204661
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate
CID 9286444
2-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7480376
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786
2-[(2-bromophenyl)methyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8554679
2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-phenylphenyl)acetamide
CID 17427414
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565661
2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4882542
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9197340
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566193

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 26600898) is 2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KSZIBZBUPIQBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N2O/c1-23(10-12-6-2-4-8-14(12)18)11-16(24)22-15-9-5-3-7-13(15)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 401.23 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 26600898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).