N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C23H15F3N2O6 — CID 26062108

IUPACN-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C23H15F3N2O6/c24-23(25,26)16-10-14(27-22(31)18-2-1-9-32-18)5-7-17(16)28-20(29)12-33-15-6-3-13-4-8-21(30)34-19(13)11-15/h1-11H,12H2,(H,27,31)(H,28,29)
InChIKeySAMLZKUQLOALAO-UHFFFAOYSA-N
MW472.38 g/mol
LogP4.67
Rot. Bonds6

About N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 26062108) has the molecular formula C23H15F3N2O6 and a molecular weight of 472.38 g/mol. Its IUPAC name is N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID26062108
Molecular FormulaC23H15F3N2O6
Molecular Weight472.38 g/mol
Exact Mass472.09
IUPAC NameN-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C23H15F3N2O6/c24-23(25,26)16-10-14(27-22(31)18-2-1-9-32-18)5-7-17(16)28-20(29)12-33-15-6-3-13-4-8-21(30)34-19(13)11-15/h1-11H,12H2,(H,27,31)(H,28,29)
InChIKeySAMLZKUQLOALAO-UHFFFAOYSA-N
XLogP4.67
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 42967063
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 46421125
N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide
CID 55776313
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]furan-2-carboxamide
CID 1491636
N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32607911
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 2531024
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 1091667
2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55933517

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 26062108) is N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is SAMLZKUQLOALAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O6/c24-23(25,26)16-10-14(27-22(31)18-2-1-9-32-18)5-7-17(16)28-20(29)12-33-15-6-3-13-4-8-21(30)34-19(13)11-15/h1-11H,12H2,(H,27,31)(H,28,29).
What are the key properties of N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 472.38 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 26062108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).