N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide

C18H21BrN2O2 — CID 109022539

IUPACN-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C18H21BrN2O2/c1-13-3-8-17(16(19)11-13)21-18(22)9-10-20-12-14-4-6-15(23-2)7-5-14/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyZPIARFYKAWHVQQ-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.88
Rot. Bonds7

About N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide

N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide (PubChem CID 109022539) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
PubChem CID109022539
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC NameN-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C18H21BrN2O2/c1-13-3-8-17(16(19)11-13)21-18(22)9-10-20-12-14-4-6-15(23-2)7-5-14/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyZPIARFYKAWHVQQ-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 108998576
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
N-(2-bromo-4-methylphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040499
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761613
N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
CID 109009113
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019380
N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019684
N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713871
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide (CID 109022539) is N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide is COc1ccc(CNCCC(=O)Nc2ccc(C)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide?
The InChIKey is ZPIARFYKAWHVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-13-3-8-17(16(19)11-13)21-18(22)9-10-20-12-14-4-6-15(23-2)7-5-14/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide?
N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide has a molecular weight of 377.28 g/mol, XLogP of 3.88, 7 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)-3-[(4-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109022539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).