3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C18H21BrN2O2 — CID 109025842

IUPAC3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2ccccc2Br)cc1
InChIInChI=1S/C18H21BrN2O2/c1-23-15-8-6-14(7-9-15)10-12-21-18(22)11-13-20-17-5-3-2-4-16(17)19/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyAIBPAVFHPHLFFK-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.62
Rot. Bonds8

About 3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 109025842) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID109025842
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2ccccc2Br)cc1
InChIInChI=1S/C18H21BrN2O2/c1-23-15-8-6-14(7-9-15)10-12-21-18(22)11-13-20-17-5-3-2-4-16(17)19/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyAIBPAVFHPHLFFK-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027975
3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025846
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7847687
3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025785
3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025794
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 109025842) is 3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCNc2ccccc2Br)cc1.
What is the InChIKey of 3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is AIBPAVFHPHLFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-23-15-8-6-14(7-9-15)10-12-21-18(22)11-13-20-17-5-3-2-4-16(17)19/h2-9,20H,10-13H2,1H3,(H,21,22).
What are the key properties of 3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 377.28 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).