N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide

C14H11BrF2N2O2 — CID 65203389

IUPACN-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide
SMILESNc1cc(F)ccc1NC(=O)COc1ccc(Br)c(F)c1
InChIInChI=1S/C14H11BrF2N2O2/c15-10-3-2-9(6-11(10)17)21-7-14(20)19-13-4-1-8(16)5-12(13)18/h1-6H,7,18H2,(H,19,20)
InChIKeyKBNOSAKUDAYCNN-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.33
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide

N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide (PubChem CID 65203389) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide
PubChem CID65203389
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide
SMILESNc1cc(F)ccc1NC(=O)COc1ccc(Br)c(F)c1
InChIInChI=1S/C14H11BrF2N2O2/c15-10-3-2-9(6-11(10)17)21-7-14(20)19-13-4-1-8(16)5-12(13)18/h1-6H,7,18H2,(H,19,20)
InChIKeyKBNOSAKUDAYCNN-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-(3-fluorophenoxy)acetamide
CID 16796146
2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107608671
N-(2-amino-5-fluorophenyl)-2-(4-fluorophenoxy)acetamide
CID 43611984
2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107590797
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide
CID 107624236
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
CID 62368515
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 63999855
N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide
CID 82004220
N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 82717766

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide (CID 65203389) is N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide is Nc1cc(F)ccc1NC(=O)COc1ccc(Br)c(F)c1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide?
The InChIKey is KBNOSAKUDAYCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c15-10-3-2-9(6-11(10)17)21-7-14(20)19-13-4-1-8(16)5-12(13)18/h1-6H,7,18H2,(H,19,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide?
N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)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 N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide is sourced from PubChem (CID 65203389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).