2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C17H15BrF3NO — CID 55330788

IUPAC2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H15BrF3NO/c1-22(16(23)10-12-4-8-15(18)9-5-12)11-13-2-6-14(7-3-13)17(19,20)21/h2-9H,10-11H2,1H3
InChIKeySPPDMTHSCATAMO-UHFFFAOYSA-N
MW386.21 g/mol
LogP4.67
Rot. Bonds4

About 2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 55330788) has the molecular formula C17H15BrF3NO and a molecular weight of 386.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID55330788
Molecular FormulaC17H15BrF3NO
Molecular Weight386.21 g/mol
Exact Mass385.03
IUPAC Name2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H15BrF3NO/c1-22(16(23)10-12-4-8-15(18)9-5-12)11-13-2-6-14(7-3-13)17(19,20)21/h2-9H,10-11H2,1H3
InChIKeySPPDMTHSCATAMO-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55521666
N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide
CID 60731305
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 32758175
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34764567
2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 103601917
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 55330788) is 2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is SPPDMTHSCATAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3NO/c1-22(16(23)10-12-4-8-15(18)9-5-12)11-13-2-6-14(7-3-13)17(19,20)21/h2-9H,10-11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 386.21 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55330788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).