2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide

C15H13Br2NO2 — CID 113099636

IUPAC2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
SMILESO=C(NCCOc1cccc(Br)c1)c1ccccc1Br
InChIInChI=1S/C15H13Br2NO2/c16-11-4-3-5-12(10-11)20-9-8-18-15(19)13-6-1-2-7-14(13)17/h1-7,10H,8-9H2,(H,18,19)
InChIKeyPTELYHXIARJBOU-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.02
Rot. Bonds5

About 2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide

2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide (PubChem CID 113099636) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
PubChem CID113099636
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
SMILESO=C(NCCOc1cccc(Br)c1)c1ccccc1Br
InChIInChI=1S/C15H13Br2NO2/c16-11-4-3-5-12(10-11)20-9-8-18-15(19)13-6-1-2-7-14(13)17/h1-7,10H,8-9H2,(H,18,19)
InChIKeyPTELYHXIARJBOU-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide
CID 113100580
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide
CID 55919722
2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100328
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-methylsulfonylbenzamide
CID 55921133
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
2-bromo-5-iodo-N-(2-phenoxyethyl)benzamide
CID 103988921
N-[2-(3-bromophenoxy)ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 55976011
N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide
CID 55976013
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide (CID 113099636) is 2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide is O=C(NCCOc1cccc(Br)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide?
The InChIKey is PTELYHXIARJBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c16-11-4-3-5-12(10-11)20-9-8-18-15(19)13-6-1-2-7-14(13)17/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide?
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide has a molecular weight of 399.08 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide is sourced from PubChem (CID 113099636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).