N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide

C14H12BrClN2O2 — CID 29276938

IUPACN-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
SMILESNc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C14H12BrClN2O2/c15-12-7-9(16)1-6-13(12)20-8-14(19)18-11-4-2-10(17)3-5-11/h1-7H,8,17H2,(H,18,19)
InChIKeyFRJAEHAXQUGGOS-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.70
Rot. Bonds4

About N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide

N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide (PubChem CID 29276938) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
PubChem CID29276938
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC NameN-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
SMILESNc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C14H12BrClN2O2/c15-12-7-9(16)1-6-13(12)20-8-14(19)18-11-4-2-10(17)3-5-11/h1-7H,8,17H2,(H,18,19)
InChIKeyFRJAEHAXQUGGOS-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.70
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'}

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7708017
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732
N-(4-amino-2-chlorophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 28510783
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
ethyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 5254135
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340191
N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 29274448
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 46799156
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide (CID 29276938) is N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide is Nc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide?
The InChIKey is FRJAEHAXQUGGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c15-12-7-9(16)1-6-13(12)20-8-14(19)18-11-4-2-10(17)3-5-11/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide?
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide has a molecular weight of 355.62 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide is sourced from PubChem (CID 29276938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).