N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide

C23H20F2N2O2 — CID 143527684

IUPACN-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide
SMILESCC1C(C(=O)NCc2ccc(F)c(F)c2)c2cc(O)ccc2N1c1ccccc1
InChIInChI=1S/C23H20F2N2O2/c1-14-22(23(29)26-13-15-7-9-19(24)20(25)11-15)18-12-17(28)8-10-21(18)27(14)16-5-3-2-4-6-16/h2-12,14,22,28H,13H2,1H3,(H,26,29)
InChIKeyWHWMAAPZPZLJKT-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.61
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide (PubChem CID 143527684) has the molecular formula C23H20F2N2O2 and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide
PubChem CID143527684
Molecular FormulaC23H20F2N2O2
Molecular Weight394.42 g/mol
Exact Mass394.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide
SMILESCC1C(C(=O)NCc2ccc(F)c(F)c2)c2cc(O)ccc2N1c1ccccc1
InChIInChI=1S/C23H20F2N2O2/c1-14-22(23(29)26-13-15-7-9-19(24)20(25)11-15)18-12-17(28)8-10-21(18)27(14)16-5-3-2-4-6-16/h2-12,14,22,28H,13H2,1H3,(H,26,29)
InChIKeyWHWMAAPZPZLJKT-UHFFFAOYSA-N
XLogP4.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.61
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]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide (CID 143527684) is N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide is CC1C(C(=O)NCc2ccc(F)c(F)c2)c2cc(O)ccc2N1c1ccccc1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide?
The InChIKey is WHWMAAPZPZLJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O2/c1-14-22(23(29)26-13-15-7-9-19(24)20(25)11-15)18-12-17(28)8-10-21(18)27(14)16-5-3-2-4-6-16/h2-12,14,22,28H,13H2,1H3,(H,26,29).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 4.61, 4 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]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 143527684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).