3-bromo-5-methoxy-4-phenylmethoxybenzamide

C15H14BrNO3 — CID 847699

IUPAC3-bromo-5-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(N)=O)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C15H14BrNO3/c1-19-13-8-11(15(17)18)7-12(16)14(13)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyJWPHLSPDSGOABO-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.14
Rot. Bonds5

About 3-bromo-5-methoxy-4-phenylmethoxybenzamide

3-bromo-5-methoxy-4-phenylmethoxybenzamide (PubChem CID 847699) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-bromo-5-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-4-phenylmethoxybenzamide
PubChem CID847699
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name3-bromo-5-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(N)=O)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C15H14BrNO3/c1-19-13-8-11(15(17)18)7-12(16)14(13)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyJWPHLSPDSGOABO-UHFFFAOYSA-N
XLogP3.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
3-Bromo-5-methoxy-4-(2-propen-1-yloxy)benzaldehyde
CID 2168163
4-[(3-Bromobenzyl)oxy]benzamide
CID 26051380
3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide
CID 2224385
4-(benzyloxy)-3-bromo-5-ethoxy-N-methylbenzamide
CID 1248235
3-Bromo-4,5-dimethoxybenzamide
CID 900808
HDAC8-IN-20a
CID 127046854
3-(Benzyloxy)-2-bromo-4-methoxybenzaldehyde
CID 3569314
3-Bromo-4,5-diethoxybenzamide
CID 900801
3-(Benzyloxy)-5-bromo-4-methoxybenzamide
CID 900803
3-Bromo-5-ethoxy-4-methoxybenzamide
CID 900806
3-Bromo-4-ethoxy-5-phenylmethoxybenzamide
CID 1008052

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-4-phenylmethoxybenzamide (CID 847699) is 3-bromo-5-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-4-phenylmethoxybenzamide is COc1cc(C(N)=O)cc(Br)c1OCc1ccccc1.
What is the InChIKey of 3-bromo-5-methoxy-4-phenylmethoxybenzamide?
The InChIKey is JWPHLSPDSGOABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-13-8-11(15(17)18)7-12(16)14(13)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 3-bromo-5-methoxy-4-phenylmethoxybenzamide?
3-bromo-5-methoxy-4-phenylmethoxybenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 847699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).