7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide

C17H9F4NO3 — CID 175652114

IUPAC7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc2ccc(F)cc2c(=O)o1
InChIInChI=1S/C17H9F4NO3/c18-10-6-5-9-7-14(25-16(24)11(9)8-10)15(23)22-13-4-2-1-3-12(13)17(19,20)21/h1-8H,(H,22,23)
InChIKeyJFNMHMQOPOHZKE-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.20
Rot. Bonds2

About 7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide

7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide (PubChem CID 175652114) has the molecular formula C17H9F4NO3 and a molecular weight of 351.26 g/mol. Its IUPAC name is 7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide
PubChem CID175652114
Molecular FormulaC17H9F4NO3
Molecular Weight351.26 g/mol
Exact Mass351.05
IUPAC Name7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc2ccc(F)cc2c(=O)o1
InChIInChI=1S/C17H9F4NO3/c18-10-6-5-9-7-14(25-16(24)11(9)8-10)15(23)22-13-4-2-1-3-12(13)17(19,20)21/h1-8H,(H,22,23)
InChIKeyJFNMHMQOPOHZKE-UHFFFAOYSA-N
XLogP4.20
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 112520679
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxamide
CID 110860781
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
5-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19460989
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4243574
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 110684897
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
N-(2,5-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 7958863

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide?
The IUPAC name of 7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide (CID 175652114) is 7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide.
What is the SMILES notation for 7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide?
The canonical SMILES for 7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cc2ccc(F)cc2c(=O)o1.
What is the InChIKey of 7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide?
The InChIKey is JFNMHMQOPOHZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4NO3/c18-10-6-5-9-7-14(25-16(24)11(9)8-10)15(23)22-13-4-2-1-3-12(13)17(19,20)21/h1-8H,(H,22,23).
What are the key properties of 7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide?
7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide has a molecular weight of 351.26 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide is sourced from PubChem (CID 175652114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).