N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide

C16H18BrN3O — CID 61416513

IUPACN-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(N)c1)Cc1ccccc1Br
InChIInChI=1S/C16H18BrN3O/c1-20(10-12-5-2-3-8-15(12)17)11-16(21)19-14-7-4-6-13(18)9-14/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyYBIPWQWAYOZUBV-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.10
Rot. Bonds5

About N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide

N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide (PubChem CID 61416513) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
PubChem CID61416513
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(N)c1)Cc1ccccc1Br
InChIInChI=1S/C16H18BrN3O/c1-20(10-12-5-2-3-8-15(12)17)11-16(21)19-14-7-4-6-13(18)9-14/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyYBIPWQWAYOZUBV-UHFFFAOYSA-N
XLogP3.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide
CID 43458595
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786
2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 27204661
N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81052724
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565661
N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81058953
2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600898
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide (CID 61416513) is N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1cccc(N)c1)Cc1ccccc1Br.
What is the InChIKey of N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide?
The InChIKey is YBIPWQWAYOZUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-20(10-12-5-2-3-8-15(12)17)11-16(21)19-14-7-4-6-13(18)9-14/h2-9H,10-11,18H2,1H3,(H,19,21).
What are the key properties of N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide?
N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide has a molecular weight of 348.24 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 61416513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).