N-(2-aminophenyl)-2-bromoacetamide

C8H9BrN2O — CID 89401895

IUPACN-(2-aminophenyl)-2-bromoacetamide
SMILESNc1ccccc1NC(=O)CBr
InChIInChI=1S/C8H9BrN2O/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5,10H2,(H,11,12)
InChIKeyGPNTUILQUWOECB-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.60
Rot. Bonds2

About N-(2-aminophenyl)-2-bromoacetamide

N-(2-aminophenyl)-2-bromoacetamide (PubChem CID 89401895) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-bromoacetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-bromoacetamide
PubChem CID89401895
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC NameN-(2-aminophenyl)-2-bromoacetamide
SMILESNc1ccccc1NC(=O)CBr
InChIInChI=1S/C8H9BrN2O/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5,10H2,(H,11,12)
InChIKeyGPNTUILQUWOECB-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61242990
N-(2-aminophenyl)-3,3-diphenylpropanamide
CID 28866940
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237
N-(2-aminophenyl)pent-4-ynamide
CID 102315557
2-bromo-N-(2-ethynylphenyl)acetamide
CID 165452021
N-(2-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444147
N-(2-aminophenyl)octadecanamide
CID 68839220
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-bromoacetamide?
The IUPAC name of N-(2-aminophenyl)-2-bromoacetamide (CID 89401895) is N-(2-aminophenyl)-2-bromoacetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-bromoacetamide?
The canonical SMILES for N-(2-aminophenyl)-2-bromoacetamide is Nc1ccccc1NC(=O)CBr.
What is the InChIKey of N-(2-aminophenyl)-2-bromoacetamide?
The InChIKey is GPNTUILQUWOECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5,10H2,(H,11,12).
What are the key properties of N-(2-aminophenyl)-2-bromoacetamide?
N-(2-aminophenyl)-2-bromoacetamide has a molecular weight of 229.08 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-bromoacetamide is sourced from PubChem (CID 89401895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).