2-(dibromomethoxymethyl)benzamide

C9H9Br2NO2 — CID 142794227

IUPAC2-(dibromomethoxymethyl)benzamide
SMILESNC(=O)c1ccccc1COC(Br)Br
InChIInChI=1S/C9H9Br2NO2/c10-9(11)14-5-6-3-1-2-4-7(6)8(12)13/h1-4,9H,5H2,(H2,12,13)
InChIKeyURMWCQWWCOUBLI-UHFFFAOYSA-N
MW322.98 g/mol
LogP2.38
Rot. Bonds4

About 2-(dibromomethoxymethyl)benzamide

2-(dibromomethoxymethyl)benzamide (PubChem CID 142794227) has the molecular formula C9H9Br2NO2 and a molecular weight of 322.98 g/mol. Its IUPAC name is 2-(dibromomethoxymethyl)benzamide.

Molecular Properties

Compound Name2-(dibromomethoxymethyl)benzamide
PubChem CID142794227
Molecular FormulaC9H9Br2NO2
Molecular Weight322.98 g/mol
Exact Mass320.90
IUPAC Name2-(dibromomethoxymethyl)benzamide
SMILESNC(=O)c1ccccc1COC(Br)Br
InChIInChI=1S/C9H9Br2NO2/c10-9(11)14-5-6-3-1-2-4-7(6)8(12)13/h1-4,9H,5H2,(H2,12,13)
InChIKeyURMWCQWWCOUBLI-UHFFFAOYSA-N
XLogP2.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.98
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(dibromomethoxymethyl)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

benzene;(2-carbamoylphenyl)methyl formate
CID 174940813
2-(2-bromopropanoylamino)benzamide
CID 14588064
2-(2-phenylethoxymethyl)benzamide
CID 173153256
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide
CID 107723488
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
2-[(2R)-2-amino-3-hydroxypropyl]benzamide
CID 66587137
2-(azetidin-3-yloxymethyl)benzamide
CID 63106815
5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid
CID 43379987
2-[(3-amino-5-bromophenoxy)methyl]benzamide
CID 103588227
2-[2-(sulfanyloxymethyl)phenyl]benzamide
CID 145031545
2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24710640
2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
CID 164703528

Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethoxymethyl)benzamide?
The IUPAC name of 2-(dibromomethoxymethyl)benzamide (CID 142794227) is 2-(dibromomethoxymethyl)benzamide.
What is the SMILES notation for 2-(dibromomethoxymethyl)benzamide?
The canonical SMILES for 2-(dibromomethoxymethyl)benzamide is NC(=O)c1ccccc1COC(Br)Br.
What is the InChIKey of 2-(dibromomethoxymethyl)benzamide?
The InChIKey is URMWCQWWCOUBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO2/c10-9(11)14-5-6-3-1-2-4-7(6)8(12)13/h1-4,9H,5H2,(H2,12,13).
What are the key properties of 2-(dibromomethoxymethyl)benzamide?
2-(dibromomethoxymethyl)benzamide has a molecular weight of 322.98 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethoxymethyl)benzamide is sourced from PubChem (CID 142794227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).