4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide

C9H10BrN3O3 — CID 112674135

IUPAC4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide
SMILESNC(=O)CONC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C9H10BrN3O3/c10-6-3-5(1-2-7(6)11)9(15)13-16-4-8(12)14/h1-3H,4,11H2,(H2,12,14)(H,13,15)
InChIKeyRGTWVNPIYQCGSN-UHFFFAOYSA-N
MW288.10 g/mol
LogP0.18
Rot. Bonds4

About 4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide

4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide (PubChem CID 112674135) has the molecular formula C9H10BrN3O3 and a molecular weight of 288.10 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide
PubChem CID112674135
Molecular FormulaC9H10BrN3O3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC Name4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide
SMILESNC(=O)CONC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C9H10BrN3O3/c10-6-3-5(1-2-7(6)11)9(15)13-16-4-8(12)14/h1-3H,4,11H2,(H2,12,14)(H,13,15)
InChIKeyRGTWVNPIYQCGSN-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

N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861
2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide
CID 112674277
N-(2-amino-2-oxoethoxy)-4-hydroxy-3-methylbenzamide
CID 103958323
3-amino-4-bromo-N-ethoxybenzamide
CID 107813148
2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide
CID 112674220
N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide
CID 112550855
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356
N-(2-amino-2-oxoethoxy)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 112550534
3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 79672966
N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide
CID 103901221
N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide
CID 112619998

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide (CID 112674135) is 4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide is NC(=O)CONC(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide?
The InChIKey is RGTWVNPIYQCGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3/c10-6-3-5(1-2-7(6)11)9(15)13-16-4-8(12)14/h1-3H,4,11H2,(H2,12,14)(H,13,15).
What are the key properties of 4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide?
4-amino-N-(2-amino-2-oxoethoxy)-3-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 4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide is sourced from PubChem (CID 112674135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).