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

C18H12F3NO4 — CID 1307889

IUPAC8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3C(F)(F)F)c(=O)oc12
InChIInChI=1S/C18H12F3NO4/c1-25-14-8-4-5-10-9-11(17(24)26-15(10)14)16(23)22-13-7-3-2-6-12(13)18(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyHEKKPFPCQXSCOQ-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.07
Rot. Bonds3

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

8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide (PubChem CID 1307889) has the molecular formula C18H12F3NO4 and a molecular weight of 363.29 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
PubChem CID1307889
Molecular FormulaC18H12F3NO4
Molecular Weight363.29 g/mol
Exact Mass363.07
IUPAC Name8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3C(F)(F)F)c(=O)oc12
InChIInChI=1S/C18H12F3NO4/c1-25-14-8-4-5-10-9-11(17(24)26-15(10)14)16(23)22-13-7-3-2-6-12(13)18(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyHEKKPFPCQXSCOQ-UHFFFAOYSA-N
XLogP4.07
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466
2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 66485426
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367
N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
N-[2-chloro-5-(2,2,2-trifluoroethyl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 4913051
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 10578108
8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide
CID 86650395
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide (CID 1307889) is 8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccccc3C(F)(F)F)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide?
The InChIKey is HEKKPFPCQXSCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO4/c1-25-14-8-4-5-10-9-11(17(24)26-15(10)14)16(23)22-13-7-3-2-6-12(13)18(19,20)21/h2-9H,1H3,(H,22,23).
What are the key properties of 8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide?
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide has a molecular weight of 363.29 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide is sourced from PubChem (CID 1307889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).