N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide

C21H23BrN2O3 — CID 18119415

IUPACN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide
SMILESCOc1cc(Br)c(CCNC(=O)CCn2ccc3ccccc32)cc1OC
InChIInChI=1S/C21H23BrN2O3/c1-26-19-13-16(17(22)14-20(19)27-2)7-10-23-21(25)9-12-24-11-8-15-5-3-4-6-18(15)24/h3-6,8,11,13-14H,7,9-10,12H2,1-2H3,(H,23,25)
InChIKeyFLGFYTUQSAVOGQ-UHFFFAOYSA-N
MW431.33 g/mol
LogP4.17
Rot. Bonds8

About N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide (PubChem CID 18119415) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide
PubChem CID18119415
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide
SMILESCOc1cc(Br)c(CCNC(=O)CCn2ccc3ccccc32)cc1OC
InChIInChI=1S/C21H23BrN2O3/c1-26-19-13-16(17(22)14-20(19)27-2)7-10-23-21(25)9-12-24-11-8-15-5-3-4-6-18(15)24/h3-6,8,11,13-14H,7,9-10,12H2,1-2H3,(H,23,25)
InChIKeyFLGFYTUQSAVOGQ-UHFFFAOYSA-N
XLogP4.17
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114637
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide
CID 24506331
2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 17482901
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide
CID 71709006
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
N-[2-(furan-2-yl)ethyl]-3-indol-1-ylpropanamide
CID 18111353
N-[2-(diethylamino)ethyl]-3-indol-1-ylpropanamide
CID 84556794
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
3-indol-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930499
2-[2-(3-indol-1-ylpropanoylamino)ethoxy]propanoic acid
CID 110495262
4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide
CID 9151418

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide?
The IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide (CID 18119415) is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide.
What is the SMILES notation for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide?
The canonical SMILES for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide is COc1cc(Br)c(CCNC(=O)CCn2ccc3ccccc32)cc1OC.
What is the InChIKey of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide?
The InChIKey is FLGFYTUQSAVOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3/c1-26-19-13-16(17(22)14-20(19)27-2)7-10-23-21(25)9-12-24-11-8-15-5-3-4-6-18(15)24/h3-6,8,11,13-14H,7,9-10,12H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide?
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide has a molecular weight of 431.33 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide is sourced from PubChem (CID 18119415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).