6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide

C19H14F3NO5 — CID 175652128

IUPAC6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide
SMILESCOc1ccc2c(=O)oc(C(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2c1
InChIInChI=1S/C19H14F3NO5/c1-26-12-4-5-13-10(7-12)8-16(28-18(13)25)17(24)23-14-9-11(19(20,21)22)3-6-15(14)27-2/h3-9H,1-2H3,(H,23,24)
InChIKeyAYBPZFRLKONJJZ-UHFFFAOYSA-N
MW393.32 g/mol
LogP4.08
Rot. Bonds4

About 6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide

6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide (PubChem CID 175652128) has the molecular formula C19H14F3NO5 and a molecular weight of 393.32 g/mol. Its IUPAC name is 6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide
PubChem CID175652128
Molecular FormulaC19H14F3NO5
Molecular Weight393.32 g/mol
Exact Mass393.08
IUPAC Name6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide
SMILESCOc1ccc2c(=O)oc(C(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2c1
InChIInChI=1S/C19H14F3NO5/c1-26-12-4-5-13-10(7-12)8-16(28-18(13)25)17(24)23-14-9-11(19(20,21)22)3-6-15(14)27-2/h3-9H,1-2H3,(H,23,24)
InChIKeyAYBPZFRLKONJJZ-UHFFFAOYSA-N
XLogP4.08
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide (CID 175652128) is 6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide is COc1ccc2c(=O)oc(C(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2c1.
What is the InChIKey of 6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide?
The InChIKey is AYBPZFRLKONJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO5/c1-26-12-4-5-13-10(7-12)8-16(28-18(13)25)17(24)23-14-9-11(19(20,21)22)3-6-15(14)27-2/h3-9H,1-2H3,(H,23,24).
What are the key properties of 6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide?
6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide has a molecular weight of 393.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide is sourced from PubChem (CID 175652128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).