2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide

C14H12BrFN2O2 — CID 62368515

IUPAC2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
SMILESNc1cc(F)ccc1OCC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H12BrFN2O2/c15-10-3-1-2-4-12(10)18-14(19)8-20-13-6-5-9(16)7-11(13)17/h1-7H,8,17H2,(H,18,19)
InChIKeyDBILBRBYVNHZBR-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide

2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide (PubChem CID 62368515) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
PubChem CID62368515
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
SMILESNc1cc(F)ccc1OCC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H12BrFN2O2/c15-10-3-1-2-4-12(10)18-14(19)8-20-13-6-5-9(16)7-11(13)17/h1-7H,8,17H2,(H,18,19)
InChIKeyDBILBRBYVNHZBR-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.19
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-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide
CID 107624236
2-(2-amino-4-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 62368683
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
CID 34648957
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842438
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
2-(2-bromo-5-fluorophenoxy)-N-(2-chlorophenyl)acetamide
CID 81496110
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-amino-4-fluorobenzoate
CID 55424504
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
N-(5-amino-2-fluorophenyl)-2-(2-bromo-4-fluorophenoxy)acetamide
CID 29040391
2-(2,4-difluorophenoxy)-N-(2-hydroxyphenyl)acetamide
CID 31984086
N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2558535

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide (CID 62368515) is 2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide is Nc1cc(F)ccc1OCC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide?
The InChIKey is DBILBRBYVNHZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-10-3-1-2-4-12(10)18-14(19)8-20-13-6-5-9(16)7-11(13)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide?
2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide has a molecular weight of 339.16 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 62368515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).