2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide

C14H12BrFN2O — CID 103832912

IUPAC2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide
SMILESNc1ccccc1CC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C14H12BrFN2O/c15-11-6-5-10(16)8-13(11)18-14(19)7-9-3-1-2-4-12(9)17/h1-6,8H,7,17H2,(H,18,19)
InChIKeyGLBDCIXSLLEEEL-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.35
Rot. Bonds3

About 2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide

2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide (PubChem CID 103832912) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide
PubChem CID103832912
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide
SMILESNc1ccccc1CC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C14H12BrFN2O/c15-11-6-5-10(16)8-13(11)18-14(19)7-9-3-1-2-4-12(9)17/h1-6,8H,7,17H2,(H,18,19)
InChIKeyGLBDCIXSLLEEEL-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide
CID 107624236
2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide
CID 62810482
2-(2-aminophenyl)-N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 107786724
(2-bromo-5-fluorophenyl)urea
CID 99639427
2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide
CID 81317663
N-(2-bromo-5-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 103753599
2-(2-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 113098832
N-(2-bromo-4-fluorophenyl)-2-(2-fluorophenyl)acetamide
CID 28938688
3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide
CID 107624299
N-(2-bromo-5-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 103753346
3-(2-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]propanamide
CID 107272903
2-(2-aminophenyl)-N-(5-bromo-2-chlorophenyl)acetamide
CID 55132440

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide (CID 103832912) is 2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide is Nc1ccccc1CC(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide?
The InChIKey is GLBDCIXSLLEEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-11-6-5-10(16)8-13(11)18-14(19)7-9-3-1-2-4-12(9)17/h1-6,8H,7,17H2,(H,18,19).
What are the key properties of 2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide?
2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide has a molecular weight of 323.17 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide is sourced from PubChem (CID 103832912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).