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

C21H15F3N2O2 — CID 118335582

IUPACN-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccoc1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)16-7-5-14(6-8-16)11-26-12-18(17-3-1-2-4-19(17)26)25-20(27)15-9-10-28-13-15/h1-10,12-13H,11H2,(H,25,27)
InChIKeyJYTDRCWINNMSIS-UHFFFAOYSA-N
MW384.36 g/mol
LogP5.55
Rot. Bonds4

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

N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide (PubChem CID 118335582) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
PubChem CID118335582
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccoc1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)16-7-5-14(6-8-16)11-26-12-18(17-3-1-2-4-19(17)26)25-20(27)15-9-10-28-13-15/h1-10,12-13H,11H2,(H,25,27)
InChIKeyJYTDRCWINNMSIS-UHFFFAOYSA-N
XLogP5.55
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.36
LogP ≤ 55.55
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
3-[1-(3-Aminopropyl)indol-3-yl]-4-(furan-2-yl)pyrrole-2,5-dione
CID 44452739
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-(1H-indol-4-yl)furan-3-carboxamide
CID 172437136
N-quinolin-6-ylfuran-3-carboxamide
CID 172438092
N-[(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-3-carboxamide
CID 124043603
N-(Quinolin-8-YL)furan-3-carboxamide
CID 41725992
2-methyl-N-(quinolin-5-yl)furan-3-carboxamide
CID 24216365
N-[2-(1H-indol-3-yl)ethyl]furan-3-carboxamide
CID 24531997
6-Fluoro-1-(furan-3-ylmethyl)-3-piperidin-4-ylindole
CID 11335513
N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]furan-3-carboxamide
CID 89310465

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide (CID 118335582) is N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide is O=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccoc1.
What is the InChIKey of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?
The InChIKey is JYTDRCWINNMSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)16-7-5-14(6-8-16)11-26-12-18(17-3-1-2-4-19(17)26)25-20(27)15-9-10-28-13-15/h1-10,12-13H,11H2,(H,25,27).
What are the key properties of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 118335582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).