3-bromo-4-ethoxy-5-phenylmethoxybenzamide

C16H16BrNO3 — CID 1008052

IUPAC3-bromo-4-ethoxy-5-phenylmethoxybenzamide
SMILESCCOc1c(Br)cc(C(N)=O)cc1OCc1ccccc1
InChIInChI=1S/C16H16BrNO3/c1-2-20-15-13(17)8-12(16(18)19)9-14(15)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyBSRCHEWLDWWUHU-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.53
Rot. Bonds6

About 3-bromo-4-ethoxy-5-phenylmethoxybenzamide

3-bromo-4-ethoxy-5-phenylmethoxybenzamide (PubChem CID 1008052) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-phenylmethoxybenzamide
PubChem CID1008052
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name3-bromo-4-ethoxy-5-phenylmethoxybenzamide
SMILESCCOc1c(Br)cc(C(N)=O)cc1OCc1ccccc1
InChIInChI=1S/C16H16BrNO3/c1-2-20-15-13(17)8-12(16(18)19)9-14(15)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyBSRCHEWLDWWUHU-UHFFFAOYSA-N
XLogP3.53
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-ethoxy-5-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-phenylmethoxybenzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-phenylmethoxybenzamide (CID 1008052) is 3-bromo-4-ethoxy-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-phenylmethoxybenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-phenylmethoxybenzamide is CCOc1c(Br)cc(C(N)=O)cc1OCc1ccccc1.
What is the InChIKey of 3-bromo-4-ethoxy-5-phenylmethoxybenzamide?
The InChIKey is BSRCHEWLDWWUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-2-20-15-13(17)8-12(16(18)19)9-14(15)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,18,19).
What are the key properties of 3-bromo-4-ethoxy-5-phenylmethoxybenzamide?
3-bromo-4-ethoxy-5-phenylmethoxybenzamide has a molecular weight of 350.21 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-phenylmethoxybenzamide is sourced from PubChem (CID 1008052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).