N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide

C17H17F3N2O3 — CID 46431327

IUPACN-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide
SMILESCC(NC(=O)CCNC(=O)c1ccoc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O3/c1-11(12-2-4-14(5-3-12)17(18,19)20)22-15(23)6-8-21-16(24)13-7-9-25-10-13/h2-5,7,9-11H,6,8H2,1H3,(H,21,24)(H,22,23)
InChIKeyUWVQHVMVJYROBV-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.30
Rot. Bonds6

About N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide

N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide (PubChem CID 46431327) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide
PubChem CID46431327
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC NameN-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide
SMILESCC(NC(=O)CCNC(=O)c1ccoc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O3/c1-11(12-2-4-14(5-3-12)17(18,19)20)22-15(23)6-8-21-16(24)13-7-9-25-10-13/h2-5,7,9-11H,6,8H2,1H3,(H,21,24)(H,22,23)
InChIKeyUWVQHVMVJYROBV-UHFFFAOYSA-N
XLogP3.30
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 37354271
N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 46438456
(2S)-2-[3-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 61136349
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide
CID 106353047
N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide
CID 46450491
3-(pyrimidin-2-ylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 47054884
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 82013742
2-[3-(furan-3-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 61243124
(2S)-2-[3-(furan-3-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 107822062
N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
CID 51181257

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide?
The IUPAC name of N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide (CID 46431327) is N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide is CC(NC(=O)CCNC(=O)c1ccoc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide?
The InChIKey is UWVQHVMVJYROBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-11(12-2-4-14(5-3-12)17(18,19)20)22-15(23)6-8-21-16(24)13-7-9-25-10-13/h2-5,7,9-11H,6,8H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide?
N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propyl]furan-3-carboxamide is sourced from PubChem (CID 46431327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).