2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide

C15H15BrN2O2 — CID 61401671

IUPAC2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide
SMILESNc1ccc(OCC(=O)NCc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrN2O2/c16-14-4-2-1-3-11(14)9-18-15(19)10-20-13-7-5-12(17)6-8-13/h1-8H,9-10,17H2,(H,18,19)
InChIKeyZTJQJPXFWDPKMP-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.73
Rot. Bonds5

About 2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide

2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide (PubChem CID 61401671) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide
PubChem CID61401671
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide
SMILESNc1ccc(OCC(=O)NCc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrN2O2/c16-14-4-2-1-3-11(14)9-18-15(19)10-20-13-7-5-12(17)6-8-13/h1-8H,9-10,17H2,(H,18,19)
InChIKeyZTJQJPXFWDPKMP-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.73
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-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82733539
3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide
CID 61401540
2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115598858
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
2-[[2-(4-aminophenoxy)acetyl]amino]acetamide
CID 61090712
N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 52940822
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 2-methylbenzoate
CID 46860420
[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 71820762

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide (CID 61401671) is 2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide is Nc1ccc(OCC(=O)NCc2ccccc2Br)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide?
The InChIKey is ZTJQJPXFWDPKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-14-4-2-1-3-11(14)9-18-15(19)10-20-13-7-5-12(17)6-8-13/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide?
2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide has a molecular weight of 335.20 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide is sourced from PubChem (CID 61401671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).