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

C18H12F3NO3 — CID 10020572

IUPAC7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide
SMILESCc1ccc2c(C(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)oc2c1
InChIInChI=1S/C18H12F3NO3/c1-10-5-6-13-14(9-16(23)25-15(13)7-10)17(24)22-12-4-2-3-11(8-12)18(19,20)21/h2-9H,1H3,(H,22,24)
InChIKeyVLJWWHCXDKDOFS-UHFFFAOYSA-N
MW347.29 g/mol
LogP4.37
Rot. Bonds2

About 7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide

7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide (PubChem CID 10020572) has the molecular formula C18H12F3NO3 and a molecular weight of 347.29 g/mol. Its IUPAC name is 7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide.

Molecular Properties

Compound Name7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide
PubChem CID10020572
Molecular FormulaC18H12F3NO3
Molecular Weight347.29 g/mol
Exact Mass347.08
IUPAC Name7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide
SMILESCc1ccc2c(C(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)oc2c1
InChIInChI=1S/C18H12F3NO3/c1-10-5-6-13-14(9-16(23)25-15(13)7-10)17(24)22-12-4-2-3-11(8-12)18(19,20)21/h2-9H,1H3,(H,22,24)
InChIKeyVLJWWHCXDKDOFS-UHFFFAOYSA-N
XLogP4.37
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 54.37
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

4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 122232635
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
1-[2-oxo-4-(trifluoromethyl)chromen-7-yl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19680241
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4542565
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide
CID 19119008
5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
CID 16802381
4-hydroxy-7-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxamide
CID 143264365
8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151352

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide?
The IUPAC name of 7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide (CID 10020572) is 7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide.
What is the SMILES notation for 7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide?
The canonical SMILES for 7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide is Cc1ccc2c(C(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide?
The InChIKey is VLJWWHCXDKDOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO3/c1-10-5-6-13-14(9-16(23)25-15(13)7-10)17(24)22-12-4-2-3-11(8-12)18(19,20)21/h2-9H,1H3,(H,22,24).
What are the key properties of 7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide?
7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide has a molecular weight of 347.29 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide is sourced from PubChem (CID 10020572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).