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

C17H10F3NO3 — CID 680602

IUPAC2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)11-5-3-6-12(9-11)21-15(22)13-8-10-4-1-2-7-14(10)24-16(13)23/h1-9H,(H,21,22)
InChIKeyJXUJVKNPEQUAAV-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.06
Rot. Bonds2

About 2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide

2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide (PubChem CID 680602) has the molecular formula C17H10F3NO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
PubChem CID680602
Molecular FormulaC17H10F3NO3
Molecular Weight333.27 g/mol
Exact Mass333.06
IUPAC Name2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)11-5-3-6-12(9-11)21-15(22)13-8-10-4-1-2-7-14(10)24-16(13)23/h1-9H,(H,21,22)
InChIKeyJXUJVKNPEQUAAV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 2-oxo-N-[3-(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 2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide (CID 680602) is 2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The InChIKey is JXUJVKNPEQUAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3/c18-17(19,20)11-5-3-6-12(9-11)21-15(22)13-8-10-4-1-2-7-14(10)24-16(13)23/h1-9H,(H,21,22).
What are the key properties of 2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide?
2-oxo-N-[3-(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 2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide is sourced from PubChem (CID 680602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).