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

C18H12F3NO3 — CID 19119008

IUPAC8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide
SMILESCc1cccc2c(=O)cc(C(=O)Nc3cccc(C(F)(F)F)c3)oc12
InChIInChI=1S/C18H12F3NO3/c1-10-4-2-7-13-14(23)9-15(25-16(10)13)17(24)22-12-6-3-5-11(8-12)18(19,20)21/h2-9H,1H3,(H,22,24)
InChIKeyFYGSERNZZVXHLB-UHFFFAOYSA-N
MW347.29 g/mol
LogP4.37
Rot. Bonds2

About 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide

8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide (PubChem CID 19119008) has the molecular formula C18H12F3NO3 and a molecular weight of 347.29 g/mol. Its IUPAC name is 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide.

Molecular Properties

Compound Name8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide
PubChem CID19119008
Molecular FormulaC18H12F3NO3
Molecular Weight347.29 g/mol
Exact Mass347.08
IUPAC Name8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide
SMILESCc1cccc2c(=O)cc(C(=O)Nc3cccc(C(F)(F)F)c3)oc12
InChIInChI=1S/C18H12F3NO3/c1-10-4-2-7-13-14(23)9-15(25-16(10)13)17(24)22-12-6-3-5-11(8-12)18(19,20)21/h2-9H,1H3,(H,22,24)
InChIKeyFYGSERNZZVXHLB-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

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119011
N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19118994
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114
5-methyl-N-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
CID 16802381
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid
CID 104606992
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108968157
7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide
CID 10020572
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119129

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide?
The IUPAC name of 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide (CID 19119008) is 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide.
What is the SMILES notation for 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide?
The canonical SMILES for 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide is Cc1cccc2c(=O)cc(C(=O)Nc3cccc(C(F)(F)F)c3)oc12.
What is the InChIKey of 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide?
The InChIKey is FYGSERNZZVXHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO3/c1-10-4-2-7-13-14(23)9-15(25-16(10)13)17(24)22-12-6-3-5-11(8-12)18(19,20)21/h2-9H,1H3,(H,22,24).
What are the key properties of 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide?
8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-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 8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide is sourced from PubChem (CID 19119008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).