2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C18H21BrN2O2 — CID 26437572

IUPAC2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C18H21BrN2O2/c1-13-11-15(5-8-17(13)19)21-12-18(22)20-10-9-14-3-6-16(23-2)7-4-14/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyJLYCVWKMTOTRNR-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.54
Rot. Bonds7

About 2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 26437572) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID26437572
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C18H21BrN2O2/c1-13-11-15(5-8-17(13)19)21-12-18(22)20-10-9-14-3-6-16(23-2)7-4-14/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyJLYCVWKMTOTRNR-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025846
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 109001296
2-(4-bromo-2,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4021966
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide
CID 109002945
2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26437601
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 60671753
2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55437326
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
4-[2-(4-methoxyphenyl)ethylamino]-2-methylbenzamide
CID 71978056

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 26437572) is 2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CNc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is JLYCVWKMTOTRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-13-11-15(5-8-17(13)19)21-12-18(22)20-10-9-14-3-6-16(23-2)7-4-14/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 377.28 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 26437572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).