N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide

C15H13F3N2O4 — CID 2531024

IUPACN-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc(NC(=O)c2ccco2)cc1)NCC(F)(F)F
InChIInChI=1S/C15H13F3N2O4/c16-15(17,18)9-19-13(21)8-24-11-5-3-10(4-6-11)20-14(22)12-2-1-7-23-12/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeySZAYHHQTUCKUNM-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.59
Rot. Bonds6

About N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide

N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide (PubChem CID 2531024) has the molecular formula C15H13F3N2O4 and a molecular weight of 342.27 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide
PubChem CID2531024
Molecular FormulaC15H13F3N2O4
Molecular Weight342.27 g/mol
Exact Mass342.08
IUPAC NameN-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc(NC(=O)c2ccco2)cc1)NCC(F)(F)F
InChIInChI=1S/C15H13F3N2O4/c16-15(17,18)9-19-13(21)8-24-11-5-3-10(4-6-11)20-14(22)12-2-1-7-23-12/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeySZAYHHQTUCKUNM-UHFFFAOYSA-N
XLogP2.59
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide
CID 55776313
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
CID 4781667
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1363218
N-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55307259
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620662
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
CID 17172382
N-[4-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78833691

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide (CID 2531024) is N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide is O=C(COc1ccc(NC(=O)c2ccco2)cc1)NCC(F)(F)F.
What is the InChIKey of N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide?
The InChIKey is SZAYHHQTUCKUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4/c16-15(17,18)9-19-13(21)8-24-11-5-3-10(4-6-11)20-14(22)12-2-1-7-23-12/h1-7H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide?
N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide has a molecular weight of 342.27 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2531024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).