3-[bromo(methoxy)methyl]benzamide

C9H10BrNO2 — CID 57281068

IUPAC3-[bromo(methoxy)methyl]benzamide
SMILESCOC(Br)c1cccc(C(N)=O)c1
InChIInChI=1S/C9H10BrNO2/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5,8H,1H3,(H2,11,12)
InChIKeyOWLVPQWWSKRZOZ-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.83
Rot. Bonds3

About 3-[bromo(methoxy)methyl]benzamide

3-[bromo(methoxy)methyl]benzamide (PubChem CID 57281068) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 3-[bromo(methoxy)methyl]benzamide.

Molecular Properties

Compound Name3-[bromo(methoxy)methyl]benzamide
PubChem CID57281068
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name3-[bromo(methoxy)methyl]benzamide
SMILESCOC(Br)c1cccc(C(N)=O)c1
InChIInChI=1S/C9H10BrNO2/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5,8H,1H3,(H2,11,12)
InChIKeyOWLVPQWWSKRZOZ-UHFFFAOYSA-N
XLogP1.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[bromo(methoxy)methyl]naphthalene-2-carboxamide
CID 91429905
3-(dihydroxymethyl)benzamide
CID 174476205
3-[methoxy(methoxymethoxy)methyl]benzamide
CID 91348805
6-[bromo(methoxy)methyl]quinoline-3-carboxamide
CID 123700611
3-[amino(hydroxy)methyl]benzamide
CID 140561822
3-[diethylsulfamoyl(methoxy)methyl]benzamide
CID 91128223
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
CID 170970604
methyl 4-(3-carbamoylphenyl)-3,4-dihydroxybutanoate
CID 171895716
methyl 3-(dibromomethyl)benzoate
CID 11174289
3-[methoxy(pyridin-4-ylmethoxy)methyl]benzamide
CID 91584519
3-(4-bromo-1,2-dihydroxybutyl)benzamide
CID 171892135
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696

Frequently Asked Questions

What is the IUPAC name of 3-[bromo(methoxy)methyl]benzamide?
The IUPAC name of 3-[bromo(methoxy)methyl]benzamide (CID 57281068) is 3-[bromo(methoxy)methyl]benzamide.
What is the SMILES notation for 3-[bromo(methoxy)methyl]benzamide?
The canonical SMILES for 3-[bromo(methoxy)methyl]benzamide is COC(Br)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[bromo(methoxy)methyl]benzamide?
The InChIKey is OWLVPQWWSKRZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5,8H,1H3,(H2,11,12).
What are the key properties of 3-[bromo(methoxy)methyl]benzamide?
3-[bromo(methoxy)methyl]benzamide has a molecular weight of 244.09 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo(methoxy)methyl]benzamide is sourced from PubChem (CID 57281068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).