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

C24H26F2N2O2 — CID 162389513

IUPAC(2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)NCC1CC(c2c(-c3ccc(C)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C24H26F2N2O2/c1-13-4-6-16(7-5-13)22-21(19-10-18(25)11-20(26)23(19)28-22)17-8-15(9-17)12-27-24(29)14(2)30-3/h4-7,10-11,14-15,17,28H,8-9,12H2,1-3H3,(H,27,29)/t14-,15?,17?/m1/s1
InChIKeyPNSDXTXKXHWDLE-HPUBIQBYSA-N
MW412.48 g/mol
LogP5.07
Rot. Bonds6

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

(2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide (PubChem CID 162389513) has the molecular formula C24H26F2N2O2 and a molecular weight of 412.48 g/mol. Its IUPAC name is (2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
PubChem CID162389513
Molecular FormulaC24H26F2N2O2
Molecular Weight412.48 g/mol
Exact Mass412.20
IUPAC Name(2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)NCC1CC(c2c(-c3ccc(C)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C24H26F2N2O2/c1-13-4-6-16(7-5-13)22-21(19-10-18(25)11-20(26)23(19)28-22)17-8-15(9-17)12-27-24(29)14(2)30-3/h4-7,10-11,14-15,17,28H,8-9,12H2,1-3H3,(H,27,29)/t14-,15?,17?/m1/s1
InChIKeyPNSDXTXKXHWDLE-HPUBIQBYSA-N
XLogP5.07
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.48
LogP ≤ 55.07
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-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide?
The IUPAC name of (2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide (CID 162389513) is (2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide.
What is the SMILES notation for (2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide?
The canonical SMILES for (2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide is CO[C@H](C)C(=O)NCC1CC(c2c(-c3ccc(C)cc3)[nH]c3c(F)cc(F)cc23)C1.
What is the InChIKey of (2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide?
The InChIKey is PNSDXTXKXHWDLE-HPUBIQBYSA-N. The full InChI is InChI=1S/C24H26F2N2O2/c1-13-4-6-16(7-5-13)22-21(19-10-18(25)11-20(26)23(19)28-22)17-8-15(9-17)12-27-24(29)14(2)30-3/h4-7,10-11,14-15,17,28H,8-9,12H2,1-3H3,(H,27,29)/t14-,15?,17?/m1/s1.
What are the key properties of (2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide?
(2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide has a molecular weight of 412.48 g/mol, XLogP of 5.07, 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-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide is sourced from PubChem (CID 162389513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).