4-bromo-N-methoxy-2-(trifluoromethyl)benzamide

C9H7BrF3NO2 — CID 103925205

IUPAC4-bromo-N-methoxy-2-(trifluoromethyl)benzamide
SMILESCONC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H7BrF3NO2/c1-16-14-8(15)6-3-2-5(10)4-7(6)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyNGBTVMSIAAAPNT-UHFFFAOYSA-N
MW298.06 g/mol
LogP2.76
Rot. Bonds2

About 4-bromo-N-methoxy-2-(trifluoromethyl)benzamide

4-bromo-N-methoxy-2-(trifluoromethyl)benzamide (PubChem CID 103925205) has the molecular formula C9H7BrF3NO2 and a molecular weight of 298.06 g/mol. Its IUPAC name is 4-bromo-N-methoxy-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-methoxy-2-(trifluoromethyl)benzamide
PubChem CID103925205
Molecular FormulaC9H7BrF3NO2
Molecular Weight298.06 g/mol
Exact Mass296.96
IUPAC Name4-bromo-N-methoxy-2-(trifluoromethyl)benzamide
SMILESCONC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H7BrF3NO2/c1-16-14-8(15)6-3-2-5(10)4-7(6)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyNGBTVMSIAAAPNT-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.06
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(1,1-dimethoxypropan-2-yl)-2-(trifluoromethyl)benzamide
CID 107332843
N-[3-(aminomethyl)pentan-3-yl]-4-bromo-2-(trifluoromethyl)benzamide
CID 107333139
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107332820
N-(3-aminobutyl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107333127
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3-methoxyurea
CID 71967369
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612
4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 107333120
4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
CID 105343037
methyl 3-[4-bromo-2-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171865195
4-bromo-N-(3-oxopentan-2-yl)-2-(trifluoromethyl)benzamide
CID 107332844
4-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-(trifluoromethyl)benzamide
CID 103925342

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methoxy-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-methoxy-2-(trifluoromethyl)benzamide (CID 103925205) is 4-bromo-N-methoxy-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-methoxy-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-methoxy-2-(trifluoromethyl)benzamide is CONC(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-methoxy-2-(trifluoromethyl)benzamide?
The InChIKey is NGBTVMSIAAAPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO2/c1-16-14-8(15)6-3-2-5(10)4-7(6)9(11,12)13/h2-4H,1H3,(H,14,15).
What are the key properties of 4-bromo-N-methoxy-2-(trifluoromethyl)benzamide?
4-bromo-N-methoxy-2-(trifluoromethyl)benzamide has a molecular weight of 298.06 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methoxy-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 103925205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).