ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide

C24H23F3N2O2 — CID 144908443

IUPACethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
SMILESCC.Cc1occc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C22H17F3N2O2.C2H6/c1-14-17(10-11-29-14)21(28)26-19-13-27(20-5-3-2-4-18(19)20)12-15-6-8-16(9-7-15)22(23,24)25;1-2/h2-11,13H,12H2,1H3,(H,26,28);1-2H3
InChIKeyNFQIHRPFOQXNRT-UHFFFAOYSA-N
MW428.45 g/mol
LogP6.89
Rot. Bonds4

About ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide

ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide (PubChem CID 144908443) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
PubChem CID144908443
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Nameethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
SMILESCC.Cc1occc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C22H17F3N2O2.C2H6/c1-14-17(10-11-29-14)21(28)26-19-13-27(20-5-3-2-4-18(19)20)12-15-6-8-16(9-7-15)22(23,24)25;1-2/h2-11,13H,12H2,1H3,(H,26,28);1-2H3
InChIKeyNFQIHRPFOQXNRT-UHFFFAOYSA-N
XLogP6.89
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-1H-indol-3-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506362
N-[2-(2-furyl)-1-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)vinyl]-4-methylbenzamide
CID 1632318
N-{(Z)-2-Furan-2-yl-1-[2-(1H-indol-3-yl)-ethylcarbamoyl]-vinyl}-4-methyl-benzamide
CID 6509574
3-[1-(3-Aminopropyl)indol-3-yl]-4-(furan-2-yl)pyrrole-2,5-dione
CID 44452739
N'-(1H-indol-3-ylmethylene)-2-methyl-3-furohydrazide
CID 135501779
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32530652
2,5-dimethyl-N-[4-(9H-pyrido[3,4-b]indol-1-yl)phenyl]furan-3-carboxamide
CID 70687961
N-[3-(8-aminoquinolin-4-yl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 76313594
N-[3-(8-acetamidoquinolin-4-yl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 76320818
N-(1H-indol-4-yl)furan-3-carboxamide
CID 172437136
N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-3-carboxamide
CID 124043603
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
CID 118335582

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?
The IUPAC name of ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide (CID 144908443) is ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide.
What is the SMILES notation for ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?
The canonical SMILES for ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide is CC.Cc1occc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?
The InChIKey is NFQIHRPFOQXNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2.C2H6/c1-14-17(10-11-29-14)21(28)26-19-13-27(20-5-3-2-4-18(19)20)12-15-6-8-16(9-7-15)22(23,24)25;1-2/h2-11,13H,12H2,1H3,(H,26,28);1-2H3.
What are the key properties of ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?
ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 6.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 144908443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).