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

C14H12BrN3O3 — CID 43711570

IUPAC2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2ccc(Br)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12BrN3O3/c15-10-3-6-12(13(8-10)18(20)21)17-14(19)7-9-1-4-11(16)5-2-9/h1-6,8H,7,16H2,(H,17,19)
InChIKeyZHIKWEUNBZXGQX-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.12
Rot. Bonds4

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

2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide (PubChem CID 43711570) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide
PubChem CID43711570
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2ccc(Br)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12BrN3O3/c15-10-3-6-12(13(8-10)18(20)21)17-14(19)7-9-1-4-11(16)5-2-9/h1-6,8H,7,16H2,(H,17,19)
InChIKeyZHIKWEUNBZXGQX-UHFFFAOYSA-N
XLogP3.12
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide
CID 65350055
2-(5-amino-2-pyridinyl)-N-(4-bromo-2-nitrophenyl)acetamide
CID 107337837
2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
CID 43708294
N-[(4-aminophenyl)methyl]-4-bromo-2-nitroaniline
CID 116650434
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
(4-bromo-2-nitrophenyl)urea
CID 54074030
[2-(4-bromo-2-nitroanilino)-2-oxoethyl]-dimethylazanium
CID 7479180
N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604592
2-anilino-N-(4-bromo-2-nitrophenyl)acetamide
CID 60860936
2-amino-N-(4-bromo-2-nitrophenyl)propanamide
CID 43711578
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide
CID 58381574

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide (CID 43711570) is 2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide is Nc1ccc(CC(=O)Nc2ccc(Br)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide?
The InChIKey is ZHIKWEUNBZXGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-10-3-6-12(13(8-10)18(20)21)17-14(19)7-9-1-4-11(16)5-2-9/h1-6,8H,7,16H2,(H,17,19).
What are the key properties of 2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide?
2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide has a molecular weight of 350.17 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide is sourced from PubChem (CID 43711570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).