[2-(2-bromoanilino)-2-oxoethyl]-methylazanium

C9H12BrN2O+ — CID 2414095

IUPAC[2-(2-bromoanilino)-2-oxoethyl]-methylazanium
SMILESC[NH2+]CC(=O)Nc1ccccc1Br
InChIInChI=1S/C9H11BrN2O/c1-11-6-9(13)12-8-5-3-2-4-7(8)10/h2-5,11H,6H2,1H3,(H,12,13)/p+1
InChIKeyLAFVOZYTKJEPJQ-UHFFFAOYSA-O
MW244.11 g/mol
LogP0.58
Rot. Bonds3

About [2-(2-bromoanilino)-2-oxoethyl]-methylazanium

[2-(2-bromoanilino)-2-oxoethyl]-methylazanium (PubChem CID 2414095) has the molecular formula C9H12BrN2O+ and a molecular weight of 244.11 g/mol. Its IUPAC name is [2-(2-bromoanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-bromoanilino)-2-oxoethyl]-methylazanium
PubChem CID2414095
Molecular FormulaC9H12BrN2O+
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name[2-(2-bromoanilino)-2-oxoethyl]-methylazanium
SMILESC[NH2+]CC(=O)Nc1ccccc1Br
InChIInChI=1S/C9H11BrN2O/c1-11-6-9(13)12-8-5-3-2-4-7(8)10/h2-5,11H,6H2,1H3,(H,12,13)/p+1
InChIKeyLAFVOZYTKJEPJQ-UHFFFAOYSA-O
XLogP0.58
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)butanamide
CID 732405
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474
N-(2-bromophenyl)-2-isocyanoacetamide
CID 108814850
4-(2-bromoanilino)-4-oxobutanoate
CID 6935665
5-amino-N-(2-bromophenyl)hexanamide
CID 82848124
[2-(2-bromoanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133558
(2-bromophenyl)carbamic acid
CID 15021878
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2-bromoanilino)-2-oxoethyl]-methylazanium (CID 2414095) is [2-(2-bromoanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2-bromoanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2-bromoanilino)-2-oxoethyl]-methylazanium is C[NH2+]CC(=O)Nc1ccccc1Br.
What is the InChIKey of [2-(2-bromoanilino)-2-oxoethyl]-methylazanium?
The InChIKey is LAFVOZYTKJEPJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11BrN2O/c1-11-6-9(13)12-8-5-3-2-4-7(8)10/h2-5,11H,6H2,1H3,(H,12,13)/p+1.
What are the key properties of [2-(2-bromoanilino)-2-oxoethyl]-methylazanium?
[2-(2-bromoanilino)-2-oxoethyl]-methylazanium has a molecular weight of 244.11 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 2414095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).