5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide

C19H21F3N2O2 — CID 131896298

IUPAC5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)15-5-3-4-14(12-15)8-9-23-18(25)17-7-6-16(26-17)13-24-10-1-2-11-24/h3-7,12H,1-2,8-11,13H2,(H,23,25)
InChIKeyHNQXWWNIVFXMQT-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.87
Rot. Bonds6

About 5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide

5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide (PubChem CID 131896298) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
PubChem CID131896298
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)15-5-3-4-14(12-15)8-9-23-18(25)17-7-6-16(26-17)13-24-10-1-2-11-24/h3-7,12H,1-2,8-11,13H2,(H,23,25)
InChIKeyHNQXWWNIVFXMQT-UHFFFAOYSA-N
XLogP3.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414041
5-bromo-N-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 24644287
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride
CID 19415966
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 118769180
N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 39513052
N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 3244186
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78796880
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
5-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxylic acid
CID 90399964
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide?
The IUPAC name of 5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide (CID 131896298) is 5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide is O=C(NCCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCC2)o1.
What is the InChIKey of 5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide?
The InChIKey is HNQXWWNIVFXMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c20-19(21,22)15-5-3-4-14(12-15)8-9-23-18(25)17-7-6-16(26-17)13-24-10-1-2-11-24/h3-7,12H,1-2,8-11,13H2,(H,23,25).
What are the key properties of 5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide?
5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 131896298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).