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

C14H12BrN3O3 — CID 60860936

IUPAC2-anilino-N-(4-bromo-2-nitrophenyl)acetamide
SMILESO=C(CNc1ccccc1)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12BrN3O3/c15-10-6-7-12(13(8-10)18(20)21)17-14(19)9-16-11-4-2-1-3-5-11/h1-8,16H,9H2,(H,17,19)
InChIKeyFBAFVLVLQXMGLA-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.41
Rot. Bonds5

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

2-anilino-N-(4-bromo-2-nitrophenyl)acetamide (PubChem CID 60860936) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 2-anilino-N-(4-bromo-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(4-bromo-2-nitrophenyl)acetamide
PubChem CID60860936
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name2-anilino-N-(4-bromo-2-nitrophenyl)acetamide
SMILESO=C(CNc1ccccc1)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12BrN3O3/c15-10-6-7-12(13(8-10)18(20)21)17-14(19)9-16-11-4-2-1-3-5-11/h1-8,16H,9H2,(H,17,19)
InChIKeyFBAFVLVLQXMGLA-UHFFFAOYSA-N
XLogP3.41
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.41
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-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide
CID 7492495
2-(3-bromoanilino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 9080395
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
(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
N-(4-bromo-2-methylphenyl)-2-(2,4-dinitroanilino)acetamide
CID 9185550
2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
CID 82865777
2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide
CID 43711570
N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide
CID 58381574
2-(3-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide
CID 65350055

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-bromo-2-nitrophenyl)acetamide?
The IUPAC name of 2-anilino-N-(4-bromo-2-nitrophenyl)acetamide (CID 60860936) is 2-anilino-N-(4-bromo-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-anilino-N-(4-bromo-2-nitrophenyl)acetamide?
The canonical SMILES for 2-anilino-N-(4-bromo-2-nitrophenyl)acetamide is O=C(CNc1ccccc1)Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-anilino-N-(4-bromo-2-nitrophenyl)acetamide?
The InChIKey is FBAFVLVLQXMGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-10-6-7-12(13(8-10)18(20)21)17-14(19)9-16-11-4-2-1-3-5-11/h1-8,16H,9H2,(H,17,19).
What are the key properties of 2-anilino-N-(4-bromo-2-nitrophenyl)acetamide?
2-anilino-N-(4-bromo-2-nitrophenyl)acetamide has a molecular weight of 350.17 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4-bromo-2-nitrophenyl)acetamide is sourced from PubChem (CID 60860936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).