2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide

C16H18BrN3O — CID 43458291

IUPAC2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1)Cc1ccc(N)cc1
InChIInChI=1S/C16H18BrN3O/c1-20(10-12-2-6-14(18)7-3-12)11-16(21)19-15-8-4-13(17)5-9-15/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyUCJIPMVTOAILKR-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.10
Rot. Bonds5

About 2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide

2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide (PubChem CID 43458291) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
PubChem CID43458291
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1)Cc1ccc(N)cc1
InChIInChI=1S/C16H18BrN3O/c1-20(10-12-2-6-14(18)7-3-12)11-16(21)19-15-8-4-13(17)5-9-15/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyUCJIPMVTOAILKR-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
CID 2657336
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2698696
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442287
2-[(4-bromophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2698720
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728
N-(4-aminophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 43374598
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride
CID 90483527

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide (CID 43458291) is 2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide is CN(CC(=O)Nc1ccc(Br)cc1)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide?
The InChIKey is UCJIPMVTOAILKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-20(10-12-2-6-14(18)7-3-12)11-16(21)19-15-8-4-13(17)5-9-15/h2-9H,10-11,18H2,1H3,(H,19,21).
What are the key properties of 2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide?
2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)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 2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 43458291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).