N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide

C16H15F3N2O3 — CID 43068696

IUPACN-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2ccoc2)c1)C(=O)C(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c1-2-21(15(23)16(17,18)19)9-11-4-3-5-13(8-11)20-14(22)12-6-7-24-10-12/h3-8,10H,2,9H2,1H3,(H,20,22)
InChIKeyHLTVURGGQRISLB-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.44
Rot. Bonds5

About N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide

N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide (PubChem CID 43068696) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide
PubChem CID43068696
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2ccoc2)c1)C(=O)C(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c1-2-21(15(23)16(17,18)19)9-11-4-3-5-13(8-11)20-14(22)12-6-7-24-10-12/h3-8,10H,2,9H2,1H3,(H,20,22)
InChIKeyHLTVURGGQRISLB-UHFFFAOYSA-N
XLogP3.44
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072127
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-5-nitrothiophene-3-carboxamide
CID 47047150
N-[3-(diethylamino)phenyl]furan-3-carboxamide
CID 124926206
3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide
CID 43068667
2-butyl-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 55643230
N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
CID 113397917
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51121198
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-nitrobenzamide
CID 43068636
(2S)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94809125
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-fluoro-4-methoxybenzamide
CID 55671374
1-[(2-chlorophenyl)methyl]-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-oxopyridine-3-carboxamide
CID 112822360
N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride
CID 119732650

Frequently Asked Questions

What is the IUPAC name of N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide (CID 43068696) is N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide is CCN(Cc1cccc(NC(=O)c2ccoc2)c1)C(=O)C(F)(F)F.
What is the InChIKey of N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide?
The InChIKey is HLTVURGGQRISLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-2-21(15(23)16(17,18)19)9-11-4-3-5-13(8-11)20-14(22)12-6-7-24-10-12/h3-8,10H,2,9H2,1H3,(H,20,22).
What are the key properties of N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide?
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 43068696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).