N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide

C10H11BrN2O4 — CID 112550861

IUPACN-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NOCC(N)=O)cc1Br
InChIInChI=1S/C10H11BrN2O4/c1-16-8-3-2-6(4-7(8)11)10(15)13-17-5-9(12)14/h2-4H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyRKVZDSKBRRSHNF-UHFFFAOYSA-N
MW303.11 g/mol
LogP0.60
Rot. Bonds5

About N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide

N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide (PubChem CID 112550861) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
PubChem CID112550861
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC NameN-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NOCC(N)=O)cc1Br
InChIInChI=1S/C10H11BrN2O4/c1-16-8-3-2-6(4-7(8)11)10(15)13-17-5-9(12)14/h2-4H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyRKVZDSKBRRSHNF-UHFFFAOYSA-N
XLogP0.60
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 79672966
4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide
CID 112674135
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide
CID 112672945
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
CID 47037283
2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide
CID 116924423
3-bromo-4-methoxy-N',N'-dimethylbenzohydrazide
CID 78911956
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-3-hydroxypropanoate
CID 43407222

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide (CID 112550861) is N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide is COc1ccc(C(=O)NOCC(N)=O)cc1Br.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide?
The InChIKey is RKVZDSKBRRSHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-16-8-3-2-6(4-7(8)11)10(15)13-17-5-9(12)14/h2-4H,5H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide?
N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide has a molecular weight of 303.11 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide is sourced from PubChem (CID 112550861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).