2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide

C17H19BrN2O3 — CID 109008943

IUPAC2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C17H19BrN2O3/c1-11-4-5-12(8-14(11)18)19-10-17(21)20-15-9-13(22-2)6-7-16(15)23-3/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyRGEXXWAEONMBIU-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.83
Rot. Bonds6

About 2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide

2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 109008943) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID109008943
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C17H19BrN2O3/c1-11-4-5-12(8-14(11)18)19-10-17(21)20-15-9-13(22-2)6-7-16(15)23-3/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyRGEXXWAEONMBIU-UHFFFAOYSA-N
XLogP3.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178370
N-(2,5-dimethoxyphenyl)-2-(4-propoxyanilino)acetamide
CID 54820345
2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 36585879
4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840532
3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109038680
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 26438641
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
butyl 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 9084168
2-[4-(diethylsulfamoyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 9084037

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide (CID 109008943) is 2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CNc2ccc(C)c(Br)c2)c1.
What is the InChIKey of 2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is RGEXXWAEONMBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-11-4-5-12(8-14(11)18)19-10-17(21)20-15-9-13(22-2)6-7-16(15)23-3/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide?
2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 379.25 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 109008943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).