N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide

C24H30FN3O2 — CID 11200735

IUPACN-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3cc(F)ccc32)c1
InChIInChI=1S/C24H30FN3O2/c1-16(2)13-21(27-23(29)19-6-4-5-17(3)14-19)24(30)26-10-12-28-11-9-18-15-20(25)7-8-22(18)28/h4-8,14-16,21H,9-13H2,1-3H3,(H,26,30)(H,27,29)/t21-/m0/s1
InChIKeyQZBJWYBUXVGFSV-NRFANRHFSA-N
MW411.52 g/mol
LogP3.46
Rot. Bonds8

About N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide

N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide (PubChem CID 11200735) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
PubChem CID11200735
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC NameN-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3cc(F)ccc32)c1
InChIInChI=1S/C24H30FN3O2/c1-16(2)13-21(27-23(29)19-6-4-5-17(3)14-19)24(30)26-10-12-28-11-9-18-15-20(25)7-8-22(18)28/h4-8,14-16,21H,9-13H2,1-3H3,(H,26,30)(H,27,29)/t21-/m0/s1
InChIKeyQZBJWYBUXVGFSV-NRFANRHFSA-N
XLogP3.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide (CID 11200735) is N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3cc(F)ccc32)c1.
What is the InChIKey of N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The InChIKey is QZBJWYBUXVGFSV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-16(2)13-21(27-23(29)19-6-4-5-17(3)14-19)24(30)26-10-12-28-11-9-18-15-20(25)7-8-22(18)28/h4-8,14-16,21H,9-13H2,1-3H3,(H,26,30)(H,27,29)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide has a molecular weight of 411.52 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 11200735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).