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

C17H10F3NO3 — CID 10065394

IUPAC2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)11-5-7-12(8-6-11)21-15(22)13-9-10-3-1-2-4-14(10)24-16(13)23/h1-9H,(H,21,22)
InChIKeyGUPFMNNUNNXLQJ-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.06
Rot. Bonds2

About 2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide

2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide (PubChem CID 10065394) has the molecular formula C17H10F3NO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
PubChem CID10065394
Molecular FormulaC17H10F3NO3
Molecular Weight333.27 g/mol
Exact Mass333.06
IUPAC Name2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)11-5-7-12(8-6-11)21-15(22)13-9-10-3-1-2-4-14(10)24-16(13)23/h1-9H,(H,21,22)
InChIKeyGUPFMNNUNNXLQJ-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'}

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Related Compounds

2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide
CID 2109013
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate
CID 7785575
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 31524427
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 1253528
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide (CID 10065394) is 2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The InChIKey is GUPFMNNUNNXLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3/c18-17(19,20)11-5-7-12(8-6-11)21-15(22)13-9-10-3-1-2-4-14(10)24-16(13)23/h1-9H,(H,21,22).
What are the key properties of 2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide?
2-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 2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide is sourced from PubChem (CID 10065394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).