2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide

C17H19F3N2O2 — CID 112771098

IUPAC2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(C(C)NC(C)C(=O)Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C17H19F3N2O2/c1-10-4-9-15(24-10)11(2)21-12(3)16(23)22-14-7-5-13(6-8-14)17(18,19)20/h4-9,11-12,21H,1-3H3,(H,22,23)
InChIKeyDSSMQICASNLKDA-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.28
Rot. Bonds5

About 2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide

2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 112771098) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID112771098
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc(C(C)NC(C)C(=O)Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C17H19F3N2O2/c1-10-4-9-15(24-10)11(2)21-12(3)16(23)22-14-7-5-13(6-8-14)17(18,19)20/h4-9,11-12,21H,1-3H3,(H,22,23)
InChIKeyDSSMQICASNLKDA-UHFFFAOYSA-N
XLogP4.28
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
(2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 129402672
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]propanamide
CID 78858150
2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 17496516
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
(2S)-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 95665678
4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 80542056
tert-butyl N-[[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]amino]carbamate;ethane
CID 145199288
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 112771098) is 2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide is Cc1ccc(C(C)NC(C)C(=O)Nc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DSSMQICASNLKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-10-4-9-15(24-10)11(2)21-12(3)16(23)22-14-7-5-13(6-8-14)17(18,19)20/h4-9,11-12,21H,1-3H3,(H,22,23).
What are the key properties of 2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 340.35 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 112771098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).