2-amino-N-(4-bromo-2-nitrophenyl)propanamide

C9H10BrN3O3 — CID 43711578

IUPAC2-amino-N-(4-bromo-2-nitrophenyl)propanamide
SMILESCC(N)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10BrN3O3/c1-5(11)9(14)12-7-3-2-6(10)4-8(7)13(15)16/h2-5H,11H2,1H3,(H,12,14)
InChIKeyLTQZKACKDCSKJB-UHFFFAOYSA-N
MW288.10 g/mol
LogP1.64
Rot. Bonds3

About 2-amino-N-(4-bromo-2-nitrophenyl)propanamide

2-amino-N-(4-bromo-2-nitrophenyl)propanamide (PubChem CID 43711578) has the molecular formula C9H10BrN3O3 and a molecular weight of 288.10 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-nitrophenyl)propanamide
PubChem CID43711578
Molecular FormulaC9H10BrN3O3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC Name2-amino-N-(4-bromo-2-nitrophenyl)propanamide
SMILESCC(N)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10BrN3O3/c1-5(11)9(14)12-7-3-2-6(10)4-8(7)13(15)16/h2-5H,11H2,1H3,(H,12,14)
InChIKeyLTQZKACKDCSKJB-UHFFFAOYSA-N
XLogP1.64
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 51.64
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

(2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide
CID 177353774
2-amino-N-(4-bromo-2-nitrophenyl)-3-methylpentanamide
CID 43711584
N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide
CID 58381574
N-(4-bromo-2-nitrophenyl)-3-chloro-2-methylpropanamide
CID 55110433
(4-bromo-2-nitrophenyl)urea
CID 54074030
(2S)-2-amino-N-(3-bromo-4-nitrophenyl)propanamide
CID 82864467
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
[2-(4-bromo-2-nitroanilino)-2-oxoethyl]-dimethylazanium
CID 7479180
(2S)-2-(4-bromo-2-nitroanilino)-3-methylbutanoic acid
CID 93310217
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-nitrophenyl)propanamide?
The IUPAC name of 2-amino-N-(4-bromo-2-nitrophenyl)propanamide (CID 43711578) is 2-amino-N-(4-bromo-2-nitrophenyl)propanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-nitrophenyl)propanamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-nitrophenyl)propanamide is CC(N)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(4-bromo-2-nitrophenyl)propanamide?
The InChIKey is LTQZKACKDCSKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3/c1-5(11)9(14)12-7-3-2-6(10)4-8(7)13(15)16/h2-5H,11H2,1H3,(H,12,14).
What are the key properties of 2-amino-N-(4-bromo-2-nitrophenyl)propanamide?
2-amino-N-(4-bromo-2-nitrophenyl)propanamide has a molecular weight of 288.10 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-nitrophenyl)propanamide is sourced from PubChem (CID 43711578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).