N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide

C24H21F3N2O3 — CID 16662520

IUPACN-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2c(o1)CN(C(=O)c1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C24H21F3N2O3/c25-24(26,27)19-9-5-4-8-18(19)23(31)29-13-11-17-14-20(32-21(17)15-29)22(30)28-12-10-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,28,30)
InChIKeyLYGBGPCYYOOIKE-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.47
Rot. Bonds5

About N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide

N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 16662520) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID16662520
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC NameN-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2c(o1)CN(C(=O)c1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C24H21F3N2O3/c25-24(26,27)19-9-5-4-8-18(19)23(31)29-13-11-17-14-20(32-21(17)15-29)22(30)28-12-10-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,28,30)
InChIKeyLYGBGPCYYOOIKE-UHFFFAOYSA-N
XLogP4.47
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide
CID 91140446
N-(2-phenylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide
CID 25105829
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 108569496
2-[5-[1-[5-fluoro-2-(trifluoromethyl)benzoyl]piperidin-4-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 87812419
[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone
CID 19600027
N-[3-(4-fluorophenyl)propyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 25095984
5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 25164721
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 25167327
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-phenylethyl)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 3928925
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 91833292
7-[2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153406

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide (CID 16662520) is N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide is O=C(NCCc1ccccc1)c1cc2c(o1)CN(C(=O)c1ccccc1C(F)(F)F)CC2.
What is the InChIKey of N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is LYGBGPCYYOOIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c25-24(26,27)19-9-5-4-8-18(19)23(31)29-13-11-17-14-20(32-21(17)15-29)22(30)28-12-10-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,28,30).
What are the key properties of N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide?
N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 16662520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).