N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide

C20H21BrN2O2 — CID 27811332

IUPACN-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H21BrN2O2/c1-23(12-13-25-17-9-7-16(21)8-10-17)20(24)11-6-15-14-22-19-5-3-2-4-18(15)19/h2-5,7-10,14,22H,6,11-13H2,1H3
InChIKeyYANLWQLYRALBBQ-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.40
Rot. Bonds7

About N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide

N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 27811332) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID27811332
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H21BrN2O2/c1-23(12-13-25-17-9-7-16(21)8-10-17)20(24)11-6-15-14-22-19-5-3-2-4-18(15)19/h2-5,7-10,14,22H,6,11-13H2,1H3
InChIKeyYANLWQLYRALBBQ-UHFFFAOYSA-N
XLogP4.40
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 31284992
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
CID 112698086
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide
CID 87006855
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086
3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 31180102
N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 134127501
methyl (2R)-2-(4-bromophenyl)-2-[3-(1H-indol-3-yl)propanoyl-methylamino]propanoate
CID 95774545
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
CID 115174014
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide (CID 27811332) is N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide is CN(CCOc1ccc(Br)cc1)C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is YANLWQLYRALBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c1-23(12-13-25-17-9-7-16(21)8-10-17)20(24)11-6-15-14-22-19-5-3-2-4-18(15)19/h2-5,7-10,14,22H,6,11-13H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 401.30 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 27811332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).