N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide

C18H20BrN3O — CID 120847738

IUPACN-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)Cc1cccc2c1NCC2
InChIInChI=1S/C18H20BrN3O/c1-22(11-14-6-4-5-13-9-10-20-18(13)14)12-17(23)21-16-8-3-2-7-15(16)19/h2-8,20H,9-12H2,1H3,(H,21,23)
InChIKeyLGTHCELQXGKDSQ-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.49
Rot. Bonds5

About N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide

N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide (PubChem CID 120847738) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide
PubChem CID120847738
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)Cc1cccc2c1NCC2
InChIInChI=1S/C18H20BrN3O/c1-22(11-14-6-4-5-13-9-10-20-18(13)14)12-17(23)21-16-8-3-2-7-15(16)19/h2-8,20H,9-12H2,1H3,(H,21,23)
InChIKeyLGTHCELQXGKDSQ-UHFFFAOYSA-N
XLogP3.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride
CID 120847429
2-[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120847394
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 27204661
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786
2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600898
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
2-[(2-bromophenyl)methyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8554679
N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
CID 24681265
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9252567

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide (CID 120847738) is N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccccc1Br)Cc1cccc2c1NCC2.
What is the InChIKey of N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide?
The InChIKey is LGTHCELQXGKDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-22(11-14-6-4-5-13-9-10-20-18(13)14)12-17(23)21-16-8-3-2-7-15(16)19/h2-8,20H,9-12H2,1H3,(H,21,23).
What are the key properties of N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide?
N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide has a molecular weight of 374.28 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 120847738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).