2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide

C14H11BrF2N2O2 — CID 107608671

IUPAC2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide
SMILESNc1ccc(OCC(=O)Nc2cc(F)c(Br)cc2F)cc1
InChIInChI=1S/C14H11BrF2N2O2/c15-10-5-12(17)13(6-11(10)16)19-14(20)7-21-9-3-1-8(18)2-4-9/h1-6H,7,18H2,(H,19,20)
InChIKeyXWFKQLIMACXRTC-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.33
Rot. Bonds4

About 2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide

2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide (PubChem CID 107608671) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide
PubChem CID107608671
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide
SMILESNc1ccc(OCC(=O)Nc2cc(F)c(Br)cc2F)cc1
InChIInChI=1S/C14H11BrF2N2O2/c15-10-5-12(17)13(6-11(10)16)19-14(20)7-21-9-3-1-8(18)2-4-9/h1-6H,7,18H2,(H,19,20)
InChIKeyXWFKQLIMACXRTC-UHFFFAOYSA-N
XLogP3.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-N-(2,4,5-trifluorophenyl)acetamide
CID 62816214
2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107590797
2-(4-aminophenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 61094742
N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide
CID 65203389
2-bromo-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107610790
N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 43376506
N-(5-amino-2-fluorophenyl)-2-(2-bromo-4-fluorophenoxy)acetamide
CID 29040391
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107571144
N-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019
N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 82717766
4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
CID 107611740

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide (CID 107608671) is 2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide is Nc1ccc(OCC(=O)Nc2cc(F)c(Br)cc2F)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide?
The InChIKey is XWFKQLIMACXRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c15-10-5-12(17)13(6-11(10)16)19-14(20)7-21-9-3-1-8(18)2-4-9/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide?
2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide has a molecular weight of 357.15 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide is sourced from PubChem (CID 107608671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).