N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide

C19H20BrN3O2 — CID 9252666

IUPACN-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H20BrN3O2/c1-22(12-18(24)21-16-8-4-3-7-15(16)20)13-19(25)23-11-10-14-6-2-5-9-17(14)23/h2-9H,10-13H2,1H3,(H,21,24)
InChIKeyFCRCQSSNFMEFID-UHFFFAOYSA-N
MW402.29 g/mol
LogP2.91
Rot. Bonds5

About N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide

N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9252666) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide
PubChem CID9252666
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC NameN-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H20BrN3O2/c1-22(12-18(24)21-16-8-4-3-7-15(16)20)13-19(25)23-11-10-14-6-2-5-9-17(14)23/h2-9H,10-13H2,1H3,(H,21,24)
InChIKeyFCRCQSSNFMEFID-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 42069057
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51260991
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953321
N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9252567
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide (CID 9252666) is N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccccc1Br)CC(=O)N1CCc2ccccc21.
What is the InChIKey of N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is FCRCQSSNFMEFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-22(12-18(24)21-16-8-4-3-7-15(16)20)13-19(25)23-11-10-14-6-2-5-9-17(14)23/h2-9H,10-13H2,1H3,(H,21,24).
What are the key properties of N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide?
N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 402.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9252666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).