N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide

C16H15F3N2O3 — CID 46450491

IUPACN-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide
SMILESO=C(CNC(=O)c1ccoc1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)13-3-1-11(2-4-13)5-7-20-14(22)9-21-15(23)12-6-8-24-10-12/h1-4,6,8,10H,5,7,9H2,(H,20,22)(H,21,23)
InChIKeyKYAGATPNDRQDOW-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.39
Rot. Bonds6

About N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide

N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide (PubChem CID 46450491) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide
PubChem CID46450491
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide
SMILESO=C(CNC(=O)c1ccoc1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)13-3-1-11(2-4-13)5-7-20-14(22)9-21-15(23)12-6-8-24-10-12/h1-4,6,8,10H,5,7,9H2,(H,20,22)(H,21,23)
InChIKeyKYAGATPNDRQDOW-UHFFFAOYSA-N
XLogP2.39
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 51162268
3-nitro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 27774214
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]cyclopentanecarboxamide
CID 46430265
N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide
CID 46431327
N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119503351
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546139
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide (CID 46450491) is N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide is O=C(CNC(=O)c1ccoc1)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide?
The InChIKey is KYAGATPNDRQDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c17-16(18,19)13-3-1-11(2-4-13)5-7-20-14(22)9-21-15(23)12-6-8-24-10-12/h1-4,6,8,10H,5,7,9H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide?
N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 46450491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).