N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide

C17H19BrN2O2 — CID 108998576

IUPACN-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C17H19BrN2O2/c1-12-3-8-16(15(18)9-12)20-17(21)11-19-10-13-4-6-14(22-2)7-5-13/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyWRGXJLGPXCBZRJ-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.49
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide

N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide (PubChem CID 108998576) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
PubChem CID108998576
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C17H19BrN2O2/c1-12-3-8-16(15(18)9-12)20-17(21)11-19-10-13-4-6-14(22-2)7-5-13/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyWRGXJLGPXCBZRJ-UHFFFAOYSA-N
XLogP3.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022539
N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
CID 109009113
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761613
N-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164026
N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713871
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119
N-(2-bromo-4-methylphenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2460430
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
N-(2-bromo-4-methylphenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112804460
N-(2-bromo-4-methylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16546024
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 54838346
N-(2-bromo-4-methylphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040499

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide (CID 108998576) is N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide is COc1ccc(CNCC(=O)Nc2ccc(C)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide?
The InChIKey is WRGXJLGPXCBZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-12-3-8-16(15(18)9-12)20-17(21)11-19-10-13-4-6-14(22-2)7-5-13/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide has a molecular weight of 363.26 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 108998576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).