4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide

C17H10F3NO3 — CID 53380594

IUPAC4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1coc2ccccc2c1=O
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)10-5-7-11(8-6-10)21-16(23)13-9-24-14-4-2-1-3-12(14)15(13)22/h1-9H,(H,21,23)
InChIKeyICZSVZVJXCLBRZ-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.06
Rot. Bonds2

About 4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide

4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide (PubChem CID 53380594) has the molecular formula C17H10F3NO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is 4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
PubChem CID53380594
Molecular FormulaC17H10F3NO3
Molecular Weight333.27 g/mol
Exact Mass333.06
IUPAC Name4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1coc2ccccc2c1=O
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)10-5-7-11(8-6-10)21-16(23)13-9-24-14-4-2-1-3-12(14)15(13)22/h1-9H,(H,21,23)
InChIKeyICZSVZVJXCLBRZ-UHFFFAOYSA-N
XLogP4.06
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The IUPAC name of 4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide (CID 53380594) is 4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The canonical SMILES for 4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1coc2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The InChIKey is ICZSVZVJXCLBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3/c18-17(19,20)10-5-7-11(8-6-10)21-16(23)13-9-24-14-4-2-1-3-12(14)15(13)22/h1-9H,(H,21,23).
What are the key properties of 4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide?
4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide has a molecular weight of 333.27 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide is sourced from PubChem (CID 53380594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).