3-amino-N-(2-bromo-4-nitrophenyl)butanamide

C10H12BrN3O3 — CID 60841229

IUPAC3-amino-N-(2-bromo-4-nitrophenyl)butanamide
SMILESCC(N)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H12BrN3O3/c1-6(12)4-10(15)13-9-3-2-7(14(16)17)5-8(9)11/h2-3,5-6H,4,12H2,1H3,(H,13,15)
InChIKeyLAACYDOGGVYXMF-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.03
Rot. Bonds4

About 3-amino-N-(2-bromo-4-nitrophenyl)butanamide

3-amino-N-(2-bromo-4-nitrophenyl)butanamide (PubChem CID 60841229) has the molecular formula C10H12BrN3O3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4-nitrophenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4-nitrophenyl)butanamide
PubChem CID60841229
Molecular FormulaC10H12BrN3O3
Molecular Weight302.13 g/mol
Exact Mass301.01
IUPAC Name3-amino-N-(2-bromo-4-nitrophenyl)butanamide
SMILESCC(N)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H12BrN3O3/c1-6(12)4-10(15)13-9-3-2-7(14(16)17)5-8(9)11/h2-3,5-6H,4,12H2,1H3,(H,13,15)
InChIKeyLAACYDOGGVYXMF-UHFFFAOYSA-N
XLogP2.03
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.03
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

N-(2-bromo-4-nitrophenyl)-3-methylbutanamide
CID 4604816
3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670764
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3-benzamidobutanoate
CID 46819835
3-amino-N-(4-chloro-2-nitrophenyl)butanamide
CID 60837665
(2S)-2-[(2-bromo-4-nitrophenyl)carbamoylamino]propanoic acid
CID 114003684
N-(2-bromo-4-nitrophenyl)-2-[butyl(methyl)amino]acetamide
CID 31477713
N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19173082
N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide
CID 4173915
N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide
CID 2946043
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
N-(2-bromo-4-nitrophenyl)-3-methylbut-2-enamide
CID 19177492
methyl 3-[[2-(2-bromo-4-nitroanilino)-2-oxoethyl]-(2-methylpropyl)amino]propanoate
CID 49232561

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4-nitrophenyl)butanamide?
The IUPAC name of 3-amino-N-(2-bromo-4-nitrophenyl)butanamide (CID 60841229) is 3-amino-N-(2-bromo-4-nitrophenyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4-nitrophenyl)butanamide?
The canonical SMILES for 3-amino-N-(2-bromo-4-nitrophenyl)butanamide is CC(N)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of 3-amino-N-(2-bromo-4-nitrophenyl)butanamide?
The InChIKey is LAACYDOGGVYXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3/c1-6(12)4-10(15)13-9-3-2-7(14(16)17)5-8(9)11/h2-3,5-6H,4,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-(2-bromo-4-nitrophenyl)butanamide?
3-amino-N-(2-bromo-4-nitrophenyl)butanamide has a molecular weight of 302.13 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4-nitrophenyl)butanamide is sourced from PubChem (CID 60841229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).