N-[2-(2-bromophenyl)ethyl]nitrous amide

C8H9BrN2O — CID 169495086

IUPACN-[2-(2-bromophenyl)ethyl]nitrous amide
SMILESO=NNCCc1ccccc1Br
InChIInChI=1S/C8H9BrN2O/c9-8-4-2-1-3-7(8)5-6-10-11-12/h1-4H,5-6H2,(H,10,12)
InChIKeyNORAFKYFSNJRSQ-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.26
Rot. Bonds4

About N-[2-(2-bromophenyl)ethyl]nitrous amide

N-[2-(2-bromophenyl)ethyl]nitrous amide (PubChem CID 169495086) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]nitrous amide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]nitrous amide
PubChem CID169495086
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC NameN-[2-(2-bromophenyl)ethyl]nitrous amide
SMILESO=NNCCc1ccccc1Br
InChIInChI=1S/C8H9BrN2O/c9-8-4-2-1-3-7(8)5-6-10-11-12/h1-4H,5-6H2,(H,10,12)
InChIKeyNORAFKYFSNJRSQ-UHFFFAOYSA-N
XLogP2.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-N-methylethanamine
CID 11964124
2-(2-bromophenyl)-N-(chloromethyl)ethanamine
CID 115263436
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CID 115227263
N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide
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1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
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N-[3-(2-bromophenyl)propyl]cyclopropanamine
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3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
1-[2-(2-bromophenyl)ethyl]-3-(cyanomethyl)urea
CID 108864921
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202
(2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide
CID 97317324
N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206611

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]nitrous amide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]nitrous amide (CID 169495086) is N-[2-(2-bromophenyl)ethyl]nitrous amide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]nitrous amide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]nitrous amide is O=NNCCc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]nitrous amide?
The InChIKey is NORAFKYFSNJRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-8-4-2-1-3-7(8)5-6-10-11-12/h1-4H,5-6H2,(H,10,12).
What are the key properties of N-[2-(2-bromophenyl)ethyl]nitrous amide?
N-[2-(2-bromophenyl)ethyl]nitrous amide has a molecular weight of 229.08 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]nitrous amide is sourced from PubChem (CID 169495086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).