2-amino-4-(2-bromo-6-nitrophenoxy)butanamide

C10H12BrN3O4 — CID 81499980

IUPAC2-amino-4-(2-bromo-6-nitrophenoxy)butanamide
SMILESNC(=O)C(N)CCOc1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H12BrN3O4/c11-6-2-1-3-8(14(16)17)9(6)18-5-4-7(12)10(13)15/h1-3,7H,4-5,12H2,(H2,13,15)
InChIKeyAHEIZLPJTPHFSH-UHFFFAOYSA-N
MW318.13 g/mol
LogP0.94
Rot. Bonds6

About 2-amino-4-(2-bromo-6-nitrophenoxy)butanamide

2-amino-4-(2-bromo-6-nitrophenoxy)butanamide (PubChem CID 81499980) has the molecular formula C10H12BrN3O4 and a molecular weight of 318.13 g/mol. Its IUPAC name is 2-amino-4-(2-bromo-6-nitrophenoxy)butanamide.

Molecular Properties

Compound Name2-amino-4-(2-bromo-6-nitrophenoxy)butanamide
PubChem CID81499980
Molecular FormulaC10H12BrN3O4
Molecular Weight318.13 g/mol
Exact Mass317.00
IUPAC Name2-amino-4-(2-bromo-6-nitrophenoxy)butanamide
SMILESNC(=O)C(N)CCOc1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H12BrN3O4/c11-6-2-1-3-8(14(16)17)9(6)18-5-4-7(12)10(13)15/h1-3,7H,4-5,12H2,(H2,13,15)
InChIKeyAHEIZLPJTPHFSH-UHFFFAOYSA-N
XLogP0.94
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-bromo-2-(2-chloroethoxy)-3-nitrobenzene
CID 81499939
1-bromo-2-(5-chloro-3-methylpentoxy)-3-nitrobenzene
CID 81499560
5-(2-bromo-6-nitrophenoxy)pentan-1-ol
CID 81499592
1-bromo-2-but-3-ynoxy-3-nitrobenzene
CID 81499971
9-(2-bromo-6-nitrophenoxy)nonane-1-thiol
CID 105344500
3-(2-bromo-6-nitrophenoxy)propanenitrile
CID 81499740
tert-butyl 3-(2-bromo-6-nitrophenoxy)propanoate
CID 116659250
6-(2-bromo-6-nitrophenoxy)-2,2-dimethylhexanoic acid
CID 106714386
1-(2-bromo-6-nitrophenoxy)butan-2-ol
CID 81499204
1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
CID 81499450
N-[2-(2-bromo-6-nitrophenoxy)ethyl]cyclopropanamine
CID 81499823
2-amino-4-(2,6-dibromo-4-nitrophenoxy)butanoic acid
CID 63033176

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-bromo-6-nitrophenoxy)butanamide?
The IUPAC name of 2-amino-4-(2-bromo-6-nitrophenoxy)butanamide (CID 81499980) is 2-amino-4-(2-bromo-6-nitrophenoxy)butanamide.
What is the SMILES notation for 2-amino-4-(2-bromo-6-nitrophenoxy)butanamide?
The canonical SMILES for 2-amino-4-(2-bromo-6-nitrophenoxy)butanamide is NC(=O)C(N)CCOc1c(Br)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-4-(2-bromo-6-nitrophenoxy)butanamide?
The InChIKey is AHEIZLPJTPHFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O4/c11-6-2-1-3-8(14(16)17)9(6)18-5-4-7(12)10(13)15/h1-3,7H,4-5,12H2,(H2,13,15).
What are the key properties of 2-amino-4-(2-bromo-6-nitrophenoxy)butanamide?
2-amino-4-(2-bromo-6-nitrophenoxy)butanamide has a molecular weight of 318.13 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-bromo-6-nitrophenoxy)butanamide is sourced from PubChem (CID 81499980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).