N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide

C19H16F3NO4 — CID 43057959

IUPACN-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C19H16F3NO4/c1-23(11-12-6-8-14(9-7-12)27-19(20,21)22)17(24)16-10-13-4-2-3-5-15(13)18(25)26-16/h2-9,16H,10-11H2,1H3
InChIKeyCXFDAHORJAUMCT-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.33
Rot. Bonds4

About N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide

N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide (PubChem CID 43057959) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide
PubChem CID43057959
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC NameN-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C19H16F3NO4/c1-23(11-12-6-8-14(9-7-12)27-19(20,21)22)17(24)16-10-13-4-2-3-5-15(13)18(25)26-16/h2-9,16H,10-11H2,1H3
InChIKeyCXFDAHORJAUMCT-UHFFFAOYSA-N
XLogP3.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide (CID 43057959) is N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1Cc2ccccc2C(=O)O1.
What is the InChIKey of N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is CXFDAHORJAUMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO4/c1-23(11-12-6-8-14(9-7-12)27-19(20,21)22)17(24)16-10-13-4-2-3-5-15(13)18(25)26-16/h2-9,16H,10-11H2,1H3.
What are the key properties of N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide?
N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 379.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 43057959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).