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

C17H16F3NO5 — CID 7768109

IUPAC2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1OC
InChIInChI=1S/C17H16F3NO5/c1-23-13-9-8-12(14(24-2)15(13)25-3)16(22)21-10-4-6-11(7-5-10)26-17(18,19)20/h4-9H,1-3H3,(H,21,22)
InChIKeyNLUFTDYSIRNXGK-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.86
Rot. Bonds6

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

2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 7768109) has the molecular formula C17H16F3NO5 and a molecular weight of 371.31 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID7768109
Molecular FormulaC17H16F3NO5
Molecular Weight371.31 g/mol
Exact Mass371.10
IUPAC Name2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1OC
InChIInChI=1S/C17H16F3NO5/c1-23-13-9-8-12(14(24-2)15(13)25-3)16(22)21-10-4-6-11(7-5-10)26-17(18,19)20/h4-9H,1-3H3,(H,21,22)
InChIKeyNLUFTDYSIRNXGK-UHFFFAOYSA-N
XLogP3.86
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide
CID 24636994
2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid
CID 119254386
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 4830286
1-[(2,3-dimethoxyphenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55816924
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220589

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 7768109) is 2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is NLUFTDYSIRNXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO5/c1-23-13-9-8-12(14(24-2)15(13)25-3)16(22)21-10-4-6-11(7-5-10)26-17(18,19)20/h4-9H,1-3H3,(H,21,22).
What are the key properties of 2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide?
2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 371.31 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 7768109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).