5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

C16H13F3N2O3 — CID 69054016

IUPAC5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCOc1cc(C(N)=O)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3N2O3/c1-24-13-6-9(14(20)22)5-10(7-13)15(23)21-12-4-2-3-11(8-12)16(17,18)19/h2-8H,1H3,(H2,20,22)(H,21,23)
InChIKeyTWKHKXRXGIYZLA-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.07
Rot. Bonds4

About 5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (PubChem CID 69054016) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
PubChem CID69054016
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCOc1cc(C(N)=O)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3N2O3/c1-24-13-6-9(14(20)22)5-10(7-13)15(23)21-12-4-2-3-11(8-12)16(17,18)19/h2-8H,1H3,(H2,20,22)(H,21,23)
InChIKeyTWKHKXRXGIYZLA-UHFFFAOYSA-N
XLogP3.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 16745785
2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 16745808
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 69057355
2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
CID 68648982
4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 68505609
methyl 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoate
CID 5072001
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (CID 69054016) is 5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is COc1cc(C(N)=O)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is TWKHKXRXGIYZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-24-13-6-9(14(20)22)5-10(7-13)15(23)21-12-4-2-3-11(8-12)16(17,18)19/h2-8H,1H3,(H2,20,22)(H,21,23).
What are the key properties of 5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 338.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 69054016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).