3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide

C16H13BrF3NO3 — CID 41369739

IUPAC3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1Br
InChIInChI=1S/C16H13BrF3NO3/c1-23-13-7-6-10(8-11(13)17)15(22)21-12-4-2-3-5-14(12)24-9-16(18,19)20/h2-8H,9H2,1H3,(H,21,22)
InChIKeyUNHBZRXFWKRKMX-UHFFFAOYSA-N
MW404.18 g/mol
LogP4.65
Rot. Bonds5

About 3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide

3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 41369739) has the molecular formula C16H13BrF3NO3 and a molecular weight of 404.18 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID41369739
Molecular FormulaC16H13BrF3NO3
Molecular Weight404.18 g/mol
Exact Mass403.00
IUPAC Name3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1Br
InChIInChI=1S/C16H13BrF3NO3/c1-23-13-7-6-10(8-11(13)17)15(22)21-12-4-2-3-5-14(12)24-9-16(18,19)20/h2-8H,9H2,1H3,(H,21,22)
InChIKeyUNHBZRXFWKRKMX-UHFFFAOYSA-N
XLogP4.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.18
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55508199
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
CID 17134058
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
3-bromo-4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1139228
N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
CID 47037283
3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
CID 17355255
3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575314
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33370284

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 41369739) is 3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is UNHBZRXFWKRKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3NO3/c1-23-13-7-6-10(8-11(13)17)15(22)21-12-4-2-3-5-14(12)24-9-16(18,19)20/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 404.18 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 41369739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).