N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide

C14H11BrClFN2O2 — CID 28971332

IUPACN-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
SMILESNc1ccc(NC(=O)COc2ccc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C14H11BrClFN2O2/c15-8-1-4-13(11(17)5-8)21-7-14(20)19-12-3-2-9(18)6-10(12)16/h1-6H,7,18H2,(H,19,20)
InChIKeyZORYLETXLIGMSU-UHFFFAOYSA-N
MW373.61 g/mol
LogP3.84
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide

N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide (PubChem CID 28971332) has the molecular formula C14H11BrClFN2O2 and a molecular weight of 373.61 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
PubChem CID28971332
Molecular FormulaC14H11BrClFN2O2
Molecular Weight373.61 g/mol
Exact Mass371.97
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
SMILESNc1ccc(NC(=O)COc2ccc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C14H11BrClFN2O2/c15-8-1-4-13(11(17)5-8)21-7-14(20)19-12-3-2-9(18)6-10(12)16/h1-6H,7,18H2,(H,19,20)
InChIKeyZORYLETXLIGMSU-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 53.84
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-(5-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 43376777
N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971329
N-(4-amino-2-chlorophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 28510783
N-(5-amino-2-chlorophenyl)-2-(5-bromo-2-fluorophenoxy)acetamide
CID 114671894
N-(4-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 60970761
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N-(4-amino-2-chlorophenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 28542842
N-(4-amino-2-chlorophenyl)-2-(3-bromo-5-fluorophenoxy)acetamide
CID 81314203
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 2522815
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide (CID 28971332) is N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide is Nc1ccc(NC(=O)COc2ccc(Br)cc2F)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide?
The InChIKey is ZORYLETXLIGMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O2/c15-8-1-4-13(11(17)5-8)21-7-14(20)19-12-3-2-9(18)6-10(12)16/h1-6H,7,18H2,(H,19,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide?
N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide has a molecular weight of 373.61 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide is sourced from PubChem (CID 28971332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).