3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C16H13BrF3NO2 — CID 52560868

IUPAC3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(Br)c1
InChIInChI=1S/C16H13BrF3NO2/c1-21(15(22)11-6-4-7-13(17)9-11)10-12-5-2-3-8-14(12)23-16(18,19)20/h2-9H,10H2,1H3
InChIKeyFNOMGOHNNMXRKE-UHFFFAOYSA-N
MW388.18 g/mol
LogP4.62
Rot. Bonds4

About 3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 52560868) has the molecular formula C16H13BrF3NO2 and a molecular weight of 388.18 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID52560868
Molecular FormulaC16H13BrF3NO2
Molecular Weight388.18 g/mol
Exact Mass387.01
IUPAC Name3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(Br)c1
InChIInChI=1S/C16H13BrF3NO2/c1-21(15(22)11-6-4-7-13(17)9-11)10-12-5-2-3-8-14(12)23-16(18,19)20/h2-9H,10H2,1H3
InChIKeyFNOMGOHNNMXRKE-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717
3-(dimethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38072733
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
3-methoxy-N-methyl-4-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 46539241
1-ethyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzotriazole-5-carboxamide
CID 38075234
N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075020
4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075934
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38072835
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
2-(2-methoxyethoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55997231
3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 55861656

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 52560868) is 3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is FNOMGOHNNMXRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3NO2/c1-21(15(22)11-6-4-7-13(17)9-11)10-12-5-2-3-8-14(12)23-16(18,19)20/h2-9H,10H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 388.18 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 52560868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).