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

C16H18BrN3O — CID 43458595

IUPAC2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(Br)c1)Cc1ccccc1N
InChIInChI=1S/C16H18BrN3O/c1-20(10-12-5-2-3-8-15(12)18)11-16(21)19-14-7-4-6-13(17)9-14/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyLWKZQHNVWPXUOX-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.10
Rot. Bonds5

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

2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide (PubChem CID 43458595) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide
PubChem CID43458595
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(Br)c1)Cc1ccccc1N
InChIInChI=1S/C16H18BrN3O/c1-20(10-12-5-2-3-8-15(12)18)11-16(21)19-14-7-4-6-13(17)9-14/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyLWKZQHNVWPXUOX-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-chlorophenyl)acetamide
CID 43458599
N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 61416513
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate
CID 60660384
N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054405
2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 2657702
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 8801611
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 43458533

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide (CID 43458595) is 2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide is CN(CC(=O)Nc1cccc(Br)c1)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide?
The InChIKey is LWKZQHNVWPXUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-20(10-12-5-2-3-8-15(12)18)11-16(21)19-14-7-4-6-13(17)9-14/h2-9H,10-11,18H2,1H3,(H,19,21).
What are the key properties of 2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide?
2-[(2-aminophenyl)methyl-methylamino]-N-(3-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-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 43458595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).