1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide

C28H24F2N4O2 — CID 59762338

IUPAC1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3nnco3)cc2n1Cc1ccccc1
InChIInChI=1S/C28H24F2N4O2/c1-17(2)26-25(27(35)31-14-19-8-11-22(29)23(30)12-19)21-10-9-20(28-33-32-16-36-28)13-24(21)34(26)15-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,31,35)
InChIKeyJRPPHTCHABUGFY-UHFFFAOYSA-N
MW486.52 g/mol
LogP6.07
Rot. Bonds7

About 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide

1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide (PubChem CID 59762338) has the molecular formula C28H24F2N4O2 and a molecular weight of 486.52 g/mol. Its IUPAC name is 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide
PubChem CID59762338
Molecular FormulaC28H24F2N4O2
Molecular Weight486.52 g/mol
Exact Mass486.19
IUPAC Name1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3nnco3)cc2n1Cc1ccccc1
InChIInChI=1S/C28H24F2N4O2/c1-17(2)26-25(27(35)31-14-19-8-11-22(29)23(30)12-19)21-10-9-20(28-33-32-16-36-28)13-24(21)34(26)15-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,31,35)
InChIKeyJRPPHTCHABUGFY-UHFFFAOYSA-N
XLogP6.07
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide (CID 59762338) is 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3nnco3)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide?
The InChIKey is JRPPHTCHABUGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N4O2/c1-17(2)26-25(27(35)31-14-19-8-11-22(29)23(30)12-19)21-10-9-20(28-33-32-16-36-28)13-24(21)34(26)15-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H,31,35).
What are the key properties of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide?
1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 59762338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).