2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide

C9H10BrN3O3 — CID 112674277

IUPAC2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide
SMILESNC(=O)CONC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C9H10BrN3O3/c10-5-1-2-7(11)6(3-5)9(15)13-16-4-8(12)14/h1-3H,4,11H2,(H2,12,14)(H,13,15)
InChIKeyZZWMWJSXMIKOMQ-UHFFFAOYSA-N
MW288.10 g/mol
LogP0.18
Rot. Bonds4

About 2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide

2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide (PubChem CID 112674277) has the molecular formula C9H10BrN3O3 and a molecular weight of 288.10 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide
PubChem CID112674277
Molecular FormulaC9H10BrN3O3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC Name2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide
SMILESNC(=O)CONC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C9H10BrN3O3/c10-5-1-2-7(11)6(3-5)9(15)13-16-4-8(12)14/h1-3H,4,11H2,(H2,12,14)(H,13,15)
InChIKeyZZWMWJSXMIKOMQ-UHFFFAOYSA-N
XLogP0.18
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide
CID 112674135
2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate
CID 83203569
2-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid
CID 63914052
N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide
CID 112551004
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
N-(2-amino-2-oxoethoxy)-5-fluoro-2-hydroxybenzamide
CID 112551215
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide
CID 114374002
N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide
CID 112550764
2-amino-N-ethoxy-5-methylbenzamide
CID 64974666

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide (CID 112674277) is 2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide is NC(=O)CONC(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide?
The InChIKey is ZZWMWJSXMIKOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3/c10-5-1-2-7(11)6(3-5)9(15)13-16-4-8(12)14/h1-3H,4,11H2,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide?
2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide has a molecular weight of 288.10 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide is sourced from PubChem (CID 112674277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).