(2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide

C26H32FN3O3 — CID 23648365

IUPAC(2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
SMILESC[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C26H32FN3O3/c1-19(18-30-10-9-21-16-23(27)7-8-24(21)30)28-26(32)22(15-20-5-3-2-4-6-20)17-25(31)29-11-13-33-14-12-29/h2-8,16,19,22H,9-15,17-18H2,1H3,(H,28,32)/t19-,22+/m0/s1
InChIKeyRGGPAFKPWNQIJQ-SIKLNZKXSA-N
MW453.56 g/mol
LogP2.80
Rot. Bonds8

About (2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide

(2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 23648365) has the molecular formula C26H32FN3O3 and a molecular weight of 453.56 g/mol. Its IUPAC name is (2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID23648365
Molecular FormulaC26H32FN3O3
Molecular Weight453.56 g/mol
Exact Mass453.24
IUPAC Name(2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
SMILESC[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C26H32FN3O3/c1-19(18-30-10-9-21-16-23(27)7-8-24(21)30)28-26(32)22(15-20-5-3-2-4-6-20)17-25(31)29-11-13-33-14-12-29/h2-8,16,19,22H,9-15,17-18H2,1H3,(H,28,32)/t19-,22+/m0/s1
InChIKeyRGGPAFKPWNQIJQ-SIKLNZKXSA-N
XLogP2.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of (2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide (CID 23648365) is (2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for (2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for (2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide is C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is RGGPAFKPWNQIJQ-SIKLNZKXSA-N. The full InChI is InChI=1S/C26H32FN3O3/c1-19(18-30-10-9-21-16-23(27)7-8-24(21)30)28-26(32)22(15-20-5-3-2-4-6-20)17-25(31)29-11-13-33-14-12-29/h2-8,16,19,22H,9-15,17-18H2,1H3,(H,28,32)/t19-,22+/m0/s1.
What are the key properties of (2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
(2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 453.56 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 23648365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).