N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide

C10H12BrN3O3 — CID 119383346

IUPACN-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide
SMILESNCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H12BrN3O3/c11-9-6-8(14(16)17)2-1-7(9)5-10(15)13-4-3-12/h1-2,6H,3-5,12H2,(H,13,15)
InChIKeyMAGLNSKBIWGUGZ-UHFFFAOYSA-N
MW302.13 g/mol
LogP0.97
Rot. Bonds5

About N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide

N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide (PubChem CID 119383346) has the molecular formula C10H12BrN3O3 and a molecular weight of 302.13 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide
PubChem CID119383346
Molecular FormulaC10H12BrN3O3
Molecular Weight302.13 g/mol
Exact Mass301.01
IUPAC NameN-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide
SMILESNCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H12BrN3O3/c11-9-6-8(14(16)17)2-1-7(9)5-10(15)13-4-3-12/h1-2,6H,3-5,12H2,(H,13,15)
InChIKeyMAGLNSKBIWGUGZ-UHFFFAOYSA-N
XLogP0.97
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-nitrophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 71972458
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-nitrophenyl)acetamide
CID 120507435
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-bromo-4-nitrophenyl)acetamide;hydrochloride
CID 119606827
1-[[2-(2-bromo-4-nitrophenyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 120530481
2-(2-bromo-4-nitrophenyl)-N-(4-methoxybutan-2-yl)acetamide
CID 71972552
2-[[2-(2-bromo-4-nitrophenyl)acetyl]amino]-3-methoxy-2-methylpropanoic acid
CID 120531771
1-[[2-(2-bromo-4-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120530919
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718
N-[(2-bromo-4-nitrophenyl)methyl]propan-1-amine
CID 60790578
3-[(2-bromo-4-nitrophenyl)methyl-methylamino]propanoic acid
CID 60986663
dimethyl 2-[(2-bromo-4-nitrophenyl)methyl]propanedioate
CID 103972427
N-[(2-bromo-4-nitrophenyl)methyl]-4-chloroaniline
CID 60791048

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide (CID 119383346) is N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide is NCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide?
The InChIKey is MAGLNSKBIWGUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3/c11-9-6-8(14(16)17)2-1-7(9)5-10(15)13-4-3-12/h1-2,6H,3-5,12H2,(H,13,15).
What are the key properties of N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide?
N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide has a molecular weight of 302.13 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2-bromo-4-nitrophenyl)acetamide is sourced from PubChem (CID 119383346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).