2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide

C16H14F3NO4 — CID 24641310

IUPAC2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1OC
InChIInChI=1S/C16H14F3NO4/c1-22-13-5-3-4-12(14(13)23-2)15(21)20-10-6-8-11(9-7-10)24-16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyCYPQLOGMTWDJGS-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.85
Rot. Bonds5

About 2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide

2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 24641310) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID24641310
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Name2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1OC
InChIInChI=1S/C16H14F3NO4/c1-22-13-5-3-4-12(14(13)23-2)15(21)20-10-6-8-11(9-7-10)24-16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyCYPQLOGMTWDJGS-UHFFFAOYSA-N
XLogP3.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7768109
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220589
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
1-[(2,3-dimethoxyphenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55816924
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253872
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 24641310) is 2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is CYPQLOGMTWDJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4/c1-22-13-5-3-4-12(14(13)23-2)15(21)20-10-6-8-11(9-7-10)24-16(17,18)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide?
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 341.29 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 24641310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).