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

C24H16F3NO5 — CID 86650395

IUPAC8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(-c4ccccc4OC(F)(F)F)c3)c(=O)oc12
InChIInChI=1S/C24H16F3NO5/c1-31-20-11-5-7-15-13-18(23(30)32-21(15)20)22(29)28-16-8-4-6-14(12-16)17-9-2-3-10-19(17)33-24(25,26)27/h2-13H,1H3,(H,28,29)
InChIKeyFOZPMRFXLCPWGP-UHFFFAOYSA-N
MW455.39 g/mol
LogP5.62
Rot. Bonds5

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

8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide (PubChem CID 86650395) has the molecular formula C24H16F3NO5 and a molecular weight of 455.39 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide
PubChem CID86650395
Molecular FormulaC24H16F3NO5
Molecular Weight455.39 g/mol
Exact Mass455.10
IUPAC Name8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(-c4ccccc4OC(F)(F)F)c3)c(=O)oc12
InChIInChI=1S/C24H16F3NO5/c1-31-20-11-5-7-15-13-18(23(30)32-21(15)20)22(29)28-16-8-4-6-14(12-16)17-9-2-3-10-19(17)33-24(25,26)27/h2-13H,1H3,(H,28,29)
InChIKeyFOZPMRFXLCPWGP-UHFFFAOYSA-N
XLogP5.62
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 86650416
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
tert-butyl 2-[3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]phenyl]pyrrole-1-carboxylate
CID 86650467
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650418
8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide
CID 26458989
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122302958
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide (CID 86650395) is 8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3cccc(-c4ccccc4OC(F)(F)F)c3)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide?
The InChIKey is FOZPMRFXLCPWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO5/c1-31-20-11-5-7-15-13-18(23(30)32-21(15)20)22(29)28-16-8-4-6-14(12-16)17-9-2-3-10-19(17)33-24(25,26)27/h2-13H,1H3,(H,28,29).
What are the key properties of 8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide?
8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide has a molecular weight of 455.39 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide is sourced from PubChem (CID 86650395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).