4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide

C10H11BrN2O3 — CID 60701326

IUPAC4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
SMILESCONC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2O3/c1-16-13-9(14)6-12-10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyZHMPNIIJFZMGFP-UHFFFAOYSA-N
MW287.11 g/mol
LogP0.86
Rot. Bonds4

About 4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide

4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide (PubChem CID 60701326) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
PubChem CID60701326
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
SMILESCONC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2O3/c1-16-13-9(14)6-12-10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyZHMPNIIJFZMGFP-UHFFFAOYSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide 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

4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701327
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
methyl (2S)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 2079908
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 47102738
(2R)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 79009373
4-bromo-N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104868922
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 48685252
4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699642
3-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174010
4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide
CID 112991558
4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 65114999
4-bromo-N-(2-methoxyethoxy)benzamide
CID 79676789

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide (CID 60701326) is 4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide is CONC(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide?
The InChIKey is ZHMPNIIJFZMGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-16-13-9(14)6-12-10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide?
4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide has a molecular weight of 287.11 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 60701326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).