N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide

C14H12Br2N2O2 — CID 64720408

IUPACN-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
SMILESNc1ccccc1NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2N2O2/c15-9-5-6-13(10(16)7-9)20-8-14(19)18-12-4-2-1-3-11(12)17/h1-7H,8,17H2,(H,18,19)
InChIKeyGIVYBVQNBMNDTD-UHFFFAOYSA-N
MW400.07 g/mol
LogP3.81
Rot. Bonds4

About N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide

N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide (PubChem CID 64720408) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
PubChem CID64720408
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC NameN-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
SMILESNc1ccccc1NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2N2O2/c15-9-5-6-13(10(16)7-9)20-8-14(19)18-12-4-2-1-3-11(12)17/h1-7H,8,17H2,(H,18,19)
InChIKeyGIVYBVQNBMNDTD-UHFFFAOYSA-N
XLogP3.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949434
2-(2,4-dibromophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2632796
N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4936441
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide
CID 63213428
2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide
CID 81289571
N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4942012
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide?
The IUPAC name of N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide (CID 64720408) is N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide is Nc1ccccc1NC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide?
The InChIKey is GIVYBVQNBMNDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c15-9-5-6-13(10(16)7-9)20-8-14(19)18-12-4-2-1-3-11(12)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide?
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide has a molecular weight of 400.07 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide is sourced from PubChem (CID 64720408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).