[2-(4-bromoanilino)-2-oxoethyl]azanium

C8H10BrN2O+ — CID 4745313

IUPAC[2-(4-bromoanilino)-2-oxoethyl]azanium
SMILES[NH3+]CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2O/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5,10H2,(H,11,12)/p+1
InChIKeyAXRMYSHRBDXGGO-UHFFFAOYSA-O
MW230.09 g/mol
LogP0.63
Rot. Bonds2

About [2-(4-bromoanilino)-2-oxoethyl]azanium

[2-(4-bromoanilino)-2-oxoethyl]azanium (PubChem CID 4745313) has the molecular formula C8H10BrN2O+ and a molecular weight of 230.09 g/mol. Its IUPAC name is [2-(4-bromoanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(4-bromoanilino)-2-oxoethyl]azanium
PubChem CID4745313
Molecular FormulaC8H10BrN2O+
Molecular Weight230.09 g/mol
Exact Mass229.00
IUPAC Name[2-(4-bromoanilino)-2-oxoethyl]azanium
SMILES[NH3+]CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2O/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5,10H2,(H,11,12)/p+1
InChIKeyAXRMYSHRBDXGGO-UHFFFAOYSA-O
XLogP0.63
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(4-bromophenyl)propanediamide
CID 15154636
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
2-(4-bromoanilino)-2-oxoethanesulfinic acid
CID 175057456
N-(4-bromophenyl)-3-oxopropanamide
CID 175023149
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
N-(4-bromophenyl)-3-methylbut-3-enamide
CID 68925920
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-bromophenyl)-3-methylsulfanylpropanamide
CID 43082407
S-[2-(4-bromoanilino)-2-oxoethyl] carbamothioate
CID 873458
(4-bromophenyl)urea
CID 16074

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromoanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(4-bromoanilino)-2-oxoethyl]azanium (CID 4745313) is [2-(4-bromoanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(4-bromoanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(4-bromoanilino)-2-oxoethyl]azanium is [NH3+]CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromoanilino)-2-oxoethyl]azanium?
The InChIKey is AXRMYSHRBDXGGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9BrN2O/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5,10H2,(H,11,12)/p+1.
What are the key properties of [2-(4-bromoanilino)-2-oxoethyl]azanium?
[2-(4-bromoanilino)-2-oxoethyl]azanium has a molecular weight of 230.09 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromoanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 4745313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).