N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide

C17H17F3N2O3 — CID 51150523

IUPACN-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O3/c1-10(12-5-3-6-13(9-12)17(18,19)20)21-15(23)11(2)22-16(24)14-7-4-8-25-14/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyONFVKGDJPFNSDJ-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.29
Rot. Bonds5

About N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide

N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide (PubChem CID 51150523) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide
PubChem CID51150523
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC NameN-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O3/c1-10(12-5-3-6-13(9-12)17(18,19)20)21-15(23)11(2)22-16(24)14-7-4-8-25-14/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyONFVKGDJPFNSDJ-UHFFFAOYSA-N
XLogP3.29
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N-[(2R)-1-oxo-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propan-2-yl]furan-2-carboxamide
CID 30341754
[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 2427745
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenoxy]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51120496
N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 51954176
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 43699818
N-[(1S)-1-(furan-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 81403701
5-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
CID 51150524
1-benzyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 27533694
2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732062
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide (CID 51150523) is N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)NC(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide?
The InChIKey is ONFVKGDJPFNSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-10(12-5-3-6-13(9-12)17(18,19)20)21-15(23)11(2)22-16(24)14-7-4-8-25-14/h3-11H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide?
N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51150523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).