1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide

C16H15F3N2O3 — CID 69480217

IUPAC1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCOc1ccc(C2(C(N)=O)C=CC=C(C(N)=O)C2)cc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c1-24-12-5-4-10(7-11(12)16(17,18)19)15(14(21)23)6-2-3-9(8-15)13(20)22/h2-7H,8H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyRJQLFBXPOVOERH-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.81
Rot. Bonds4

About 1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide

1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide (PubChem CID 69480217) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide
PubChem CID69480217
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCOc1ccc(C2(C(N)=O)C=CC=C(C(N)=O)C2)cc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c1-24-12-5-4-10(7-11(12)16(17,18)19)15(14(21)23)6-2-3-9(8-15)13(20)22/h2-7H,8H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyRJQLFBXPOVOERH-UHFFFAOYSA-N
XLogP1.81
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide?
The IUPAC name of 1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide (CID 69480217) is 1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide.
What is the SMILES notation for 1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide?
The canonical SMILES for 1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide is COc1ccc(C2(C(N)=O)C=CC=C(C(N)=O)C2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide?
The InChIKey is RJQLFBXPOVOERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-24-12-5-4-10(7-11(12)16(17,18)19)15(14(21)23)6-2-3-9(8-15)13(20)22/h2-7H,8H2,1H3,(H2,20,22)(H2,21,23).
What are the key properties of 1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide?
1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide has a molecular weight of 340.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide is sourced from PubChem (CID 69480217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).