N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide

C21H17FN2O2 — CID 118335336

IUPACN-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C21H17FN2O2/c1-14-17(10-11-26-14)21(25)23-19-13-24(20-5-3-2-4-18(19)20)12-15-6-8-16(22)9-7-15/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyYFCFPDLTIXFJPZ-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.98
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide

N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide (PubChem CID 118335336) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide
PubChem CID118335336
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC NameN-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C21H17FN2O2/c1-14-17(10-11-26-14)21(25)23-19-13-24(20-5-3-2-4-18(19)20)12-15-6-8-16(22)9-7-15/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyYFCFPDLTIXFJPZ-UHFFFAOYSA-N
XLogP4.98
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide (CID 118335336) is N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide?
The InChIKey is YFCFPDLTIXFJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-14-17(10-11-26-14)21(25)23-19-13-24(20-5-3-2-4-18(19)20)12-15-6-8-16(22)9-7-15/h2-11,13H,12H2,1H3,(H,23,25).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide?
N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 118335336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).