2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

C16H14BrF3N2O — CID 2698726

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(Br)cc1
InChIInChI=1S/C16H14BrF3N2O/c1-22(8-10-2-4-11(17)5-3-10)9-14(23)21-13-7-6-12(18)15(19)16(13)20/h2-7H,8-9H2,1H3,(H,21,23)
InChIKeyQRKPGMBBBXUSDG-UHFFFAOYSA-N
MW387.20 g/mol
LogP3.94
Rot. Bonds5

About 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2698726) has the molecular formula C16H14BrF3N2O and a molecular weight of 387.20 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2698726
Molecular FormulaC16H14BrF3N2O
Molecular Weight387.20 g/mol
Exact Mass386.02
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(Br)cc1
InChIInChI=1S/C16H14BrF3N2O/c1-22(8-10-2-4-11(17)5-3-10)9-14(23)21-13-7-6-12(18)15(19)16(13)20/h2-7H,8-9H2,1H3,(H,21,23)
InChIKeyQRKPGMBBBXUSDG-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
2-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9198919
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
CID 24588996
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109001471
methyl 2-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9040291
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8709895
2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 18078781
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 2698726) is 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is QRKPGMBBBXUSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3N2O/c1-22(8-10-2-4-11(17)5-3-10)9-14(23)21-13-7-6-12(18)15(19)16(13)20/h2-7H,8-9H2,1H3,(H,21,23).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 387.20 g/mol, XLogP of 3.94, 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-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2698726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).