4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide

C17H17BrN2O3 — CID 38611489

IUPAC4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
SMILESO=C(COc1ccccc1)NCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3/c18-14-8-6-13(7-9-14)17(22)20-11-10-19-16(21)12-23-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyRRZACUIVDXOVKN-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.37
Rot. Bonds7

About 4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide

4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide (PubChem CID 38611489) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
PubChem CID38611489
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
SMILESO=C(COc1ccccc1)NCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3/c18-14-8-6-13(7-9-14)17(22)20-11-10-19-16(21)12-23-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyRRZACUIVDXOVKN-UHFFFAOYSA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538441
4-bromo-N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108539348
ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108929821
N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083178
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide
CID 99818572
N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539308

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide (CID 38611489) is 4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide is O=C(COc1ccccc1)NCCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide?
The InChIKey is RRZACUIVDXOVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-14-8-6-13(7-9-14)17(22)20-11-10-19-16(21)12-23-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide?
4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide has a molecular weight of 377.24 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 38611489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).