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

C24H30ClN3O2 — CID 11418931

IUPACN-[(2S)-1-[2-(5-chloro-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(Cl)ccc32)c1
InChIInChI=1S/C24H30ClN3O2/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
InChIKeyXGEOFLZCNAEENF-NRFANRHFSA-N
MW427.98 g/mol
LogP3.97
Rot. Bonds8

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

N-[(2S)-1-[2-(5-chloro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide (PubChem CID 11418931) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[(2S)-1-[2-(5-chloro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(5-chloro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
PubChem CID11418931
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC NameN-[(2S)-1-[2-(5-chloro-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(Cl)ccc32)c1
InChIInChI=1S/C24H30ClN3O2/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
InChIKeyXGEOFLZCNAEENF-NRFANRHFSA-N
XLogP3.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71968
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N-(2-Benzoyl-4-chlorophenyl)-N-methylglycinamide
CID 12746775
(2S)-N-[2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 11200735
3-{4-[4-(4-Chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11589069
3-(2-chlorophenyl)-4-(2,3-dihydro-1H-indol-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539516
3-(3-chlorophenyl)-4-(2,3-dihydro-1H-indol-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539519
(2S)-N-{2-[(4-chlorophenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648347
(2S)-N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648349
3-[(4-chlorophenyl)amino]-1-ethyl-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 24768122
(E)-5-(3-Chlorostyryl)isatin
CID 44575103

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(5-chloro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2S)-1-[2-(5-chloro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide (CID 11418931) is N-[(2S)-1-[2-(5-chloro-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-chloro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2S)-1-[2-(5-chloro-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(Cl)ccc32)c1.
What is the InChIKey of N-[(2S)-1-[2-(5-chloro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The InChIKey is XGEOFLZCNAEENF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H30ClN3O2/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-chloro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
N-[(2S)-1-[2-(5-chloro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide has a molecular weight of 427.98 g/mol, XLogP of 3.97, 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-chloro-2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 11418931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).