(2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide

C23H23F3N2O2 — CID 166579586

IUPAC(2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H23F3N2O2/c1-12(30-2)23(29)27-11-13-7-15(8-13)20-18-9-17(25)10-19(26)22(18)28-21(20)14-3-5-16(24)6-4-14/h3-6,9-10,12-13,15,28H,7-8,11H2,1-2H3,(H,27,29)/t12-,13?,15?/m1/s1
InChIKeyHEJLUIILHZVOAW-DNOWBOINSA-N
MW416.44 g/mol
LogP4.90
Rot. Bonds6

About (2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide

(2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide (PubChem CID 166579586) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is (2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
PubChem CID166579586
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC Name(2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H23F3N2O2/c1-12(30-2)23(29)27-11-13-7-15(8-13)20-18-9-17(25)10-19(26)22(18)28-21(20)14-3-5-16(24)6-4-14/h3-6,9-10,12-13,15,28H,7-8,11H2,1-2H3,(H,27,29)/t12-,13?,15?/m1/s1
InChIKeyHEJLUIILHZVOAW-DNOWBOINSA-N
XLogP4.90
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide?
The IUPAC name of (2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide (CID 166579586) is (2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide.
What is the SMILES notation for (2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide?
The canonical SMILES for (2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide is CO[C@H](C)C(=O)NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.
What is the InChIKey of (2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide?
The InChIKey is HEJLUIILHZVOAW-DNOWBOINSA-N. The full InChI is InChI=1S/C23H23F3N2O2/c1-12(30-2)23(29)27-11-13-7-15(8-13)20-18-9-17(25)10-19(26)22(18)28-21(20)14-3-5-16(24)6-4-14/h3-6,9-10,12-13,15,28H,7-8,11H2,1-2H3,(H,27,29)/t12-,13?,15?/m1/s1.
What are the key properties of (2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide?
(2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide has a molecular weight of 416.44 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide is sourced from PubChem (CID 166579586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).