6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide

C18H12F3NO4 — CID 172905513

IUPAC6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide
SMILESCOc1ccc2c(=O)oc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C18H12F3NO4/c1-25-13-6-7-14-10(8-13)9-15(26-17(14)24)16(23)22-12-4-2-11(3-5-12)18(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyDUFOCRKTPSZEFO-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.07
Rot. Bonds3

About 6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide

6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide (PubChem CID 172905513) has the molecular formula C18H12F3NO4 and a molecular weight of 363.29 g/mol. Its IUPAC name is 6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide
PubChem CID172905513
Molecular FormulaC18H12F3NO4
Molecular Weight363.29 g/mol
Exact Mass363.07
IUPAC Name6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide
SMILESCOc1ccc2c(=O)oc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C18H12F3NO4/c1-25-13-6-7-14-10(8-13)9-15(26-17(14)24)16(23)22-12-4-2-11(3-5-12)18(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyDUFOCRKTPSZEFO-UHFFFAOYSA-N
XLogP4.07
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide
CID 175652128
N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651972
6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide
CID 172905265
6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 175651899
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
CID 172882109
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
N-(3-chloro-4-methoxyphenyl)-6-fluoro-1-oxoisochromene-3-carboxamide
CID 172905498
N-(4-chloro-2-cyanophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651969
N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide
CID 99797944
N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109221654

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide?
The IUPAC name of 6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide (CID 172905513) is 6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide?
The canonical SMILES for 6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide is COc1ccc2c(=O)oc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1.
What is the InChIKey of 6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide?
The InChIKey is DUFOCRKTPSZEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO4/c1-25-13-6-7-14-10(8-13)9-15(26-17(14)24)16(23)22-12-4-2-11(3-5-12)18(19,20)21/h2-9H,1H3,(H,22,23).
What are the key properties of 6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide?
6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide has a molecular weight of 363.29 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide is sourced from PubChem (CID 172905513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).