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

C16H14F3NO3 — CID 678380

IUPAC3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C16H14F3NO3/c1-22-13-7-6-10(8-14(13)23-2)15(21)20-12-5-3-4-11(9-12)16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyRHNQXTXPKJBXCB-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds4

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

3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 678380) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID678380
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C16H14F3NO3/c1-22-13-7-6-10(8-14(13)23-2)15(21)20-12-5-3-4-11(9-12)16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyRHNQXTXPKJBXCB-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 17362444
3-iodo-4-methoxy-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43878187
3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4858287
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 69054016
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18892400
3,4-dimethoxy-N-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 16825478
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2265456
ethyl 3-[[4-methoxy-3-[3-(trifluoromethyl)anilino]benzoyl]amino]benzoate
CID 54422821
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 33128215

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 678380) is 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RHNQXTXPKJBXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-22-13-7-6-10(8-14(13)23-2)15(21)20-12-5-3-4-11(9-12)16(17,18)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 325.29 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 678380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).