4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide

C14H18BrNO5 — CID 52829220

IUPAC4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide
SMILESCOc1cc(C(=O)NO[C@@H]2CCCCO2)cc(OC)c1Br
InChIInChI=1S/C14H18BrNO5/c1-18-10-7-9(8-11(19-2)13(10)15)14(17)16-21-12-5-3-4-6-20-12/h7-8,12H,3-6H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyUMYAIMKARBMJPA-GFCCVEGCSA-N
MW360.20 g/mol
LogP2.65
Rot. Bonds5

About 4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide

4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide (PubChem CID 52829220) has the molecular formula C14H18BrNO5 and a molecular weight of 360.20 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide
PubChem CID52829220
Molecular FormulaC14H18BrNO5
Molecular Weight360.20 g/mol
Exact Mass359.04
IUPAC Name4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide
SMILESCOc1cc(C(=O)NO[C@@H]2CCCCO2)cc(OC)c1Br
InChIInChI=1S/C14H18BrNO5/c1-18-10-7-9(8-11(19-2)13(10)15)14(17)16-21-12-5-3-4-6-20-12/h7-8,12H,3-6H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyUMYAIMKARBMJPA-GFCCVEGCSA-N
XLogP2.65
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide
CID 51103131
4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-3,5-dimethoxybenzamide
CID 104957285
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide
CID 94825511
1-methyl-N-(oxan-2-yloxy)pyrazole-4-carboxamide
CID 51103148
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119474386
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94824413
4-(dimethylsulfamoyl)-N-(oxan-2-yloxy)benzamide
CID 51103221
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide (CID 52829220) is 4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide is COc1cc(C(=O)NO[C@@H]2CCCCO2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide?
The InChIKey is UMYAIMKARBMJPA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18BrNO5/c1-18-10-7-9(8-11(19-2)13(10)15)14(17)16-21-12-5-3-4-6-20-12/h7-8,12H,3-6H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide?
4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide has a molecular weight of 360.20 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-[(2R)-oxan-2-yl]oxybenzamide is sourced from PubChem (CID 52829220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).