N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide

C23H26F2N2O2 — CID 59762274

IUPACN-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide
SMILESCC(C)Cn1c(C(C)C)c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc21
InChIInChI=1S/C23H26F2N2O2/c1-13(2)12-27-20-10-16(28)6-7-17(20)21(22(27)14(3)4)23(29)26-11-15-5-8-18(24)19(25)9-15/h5-10,13-14,28H,11-12H2,1-4H3,(H,26,29)
InChIKeyOQAWFSVUHGIYRX-UHFFFAOYSA-N
MW400.47 g/mol
LogP5.33
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide (PubChem CID 59762274) has the molecular formula C23H26F2N2O2 and a molecular weight of 400.47 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide
PubChem CID59762274
Molecular FormulaC23H26F2N2O2
Molecular Weight400.47 g/mol
Exact Mass400.20
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide
SMILESCC(C)Cn1c(C(C)C)c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc21
InChIInChI=1S/C23H26F2N2O2/c1-13(2)12-27-20-10-16(28)6-7-17(20)21(22(27)14(3)4)23(29)26-11-15-5-8-18(24)19(25)9-15/h5-10,13-14,28H,11-12H2,1-4H3,(H,26,29)
InChIKeyOQAWFSVUHGIYRX-UHFFFAOYSA-N
XLogP5.33
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide (CID 59762274) is N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide is CC(C)Cn1c(C(C)C)c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc21.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide?
The InChIKey is OQAWFSVUHGIYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O2/c1-13(2)12-27-20-10-16(28)6-7-17(20)21(22(27)14(3)4)23(29)26-11-15-5-8-18(24)19(25)9-15/h5-10,13-14,28H,11-12H2,1-4H3,(H,26,29).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide has a molecular weight of 400.47 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-hydroxy-1-(2-methylpropyl)-2-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 59762274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).