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

C18H21BrN2O2 — CID 109001108

IUPAC2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CNc2ccc(C)cc2Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-13-6-7-17(16(19)10-13)21-12-18(22)20-9-8-14-4-3-5-15(11-14)23-2/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,20,22)
InChIKeySYSWKEZTOVIODC-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.54
Rot. Bonds7

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

2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 109001108) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID109001108
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CNc2ccc(C)cc2Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-13-6-7-17(16(19)10-13)21-12-18(22)20-9-8-14-4-3-5-15(11-14)23-2/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,20,22)
InChIKeySYSWKEZTOVIODC-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-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025525
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-2-(4-phenoxyanilino)acetamide
CID 109001103
N'-(3,5-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948677
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110426046
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 75513079
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 109001108) is 2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)CNc2ccc(C)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is SYSWKEZTOVIODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-13-6-7-17(16(19)10-13)21-12-18(22)20-9-8-14-4-3-5-15(11-14)23-2/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-(2-bromo-4-methylanilino)-N-[2-(3-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-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 109001108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).