3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide

C17H18BrNO3 — CID 1248235

IUPAC3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide
SMILESCCOc1cc(C(=O)NC)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C17H18BrNO3/c1-3-21-15-10-13(17(20)19-2)9-14(18)16(15)22-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyAATJKJCNJBQHHV-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.79
Rot. Bonds6

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

3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide (PubChem CID 1248235) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide
PubChem CID1248235
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide
SMILESCCOc1cc(C(=O)NC)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C17H18BrNO3/c1-3-21-15-10-13(17(20)19-2)9-14(18)16(15)22-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyAATJKJCNJBQHHV-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Itopride
CID 3792
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CID 2224385
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1142014
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-phenylethyl)acetamide
CID 1300507
3-Bromo-4,5-dimethoxybenzamide
CID 900808
4-(benzyloxy)-3-methoxy-N-methylbenzamide
CID 934640
N-benzyl-3,4-dimethoxybenzamide
CID 669342
4-(Benzyloxy)-3-bromo-5-methoxybenzamide
CID 847699
N-benzyl-3-bromo-4-ethoxybenzamide
CID 880591
3-Bromo-4,5-diethoxybenzamide
CID 900801
3-(Benzyloxy)-5-bromo-4-methoxybenzamide
CID 900803

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide?
The IUPAC name of 3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide (CID 1248235) is 3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide?
The canonical SMILES for 3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide is CCOc1cc(C(=O)NC)cc(Br)c1OCc1ccccc1.
What is the InChIKey of 3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide?
The InChIKey is AATJKJCNJBQHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-3-21-15-10-13(17(20)19-2)9-14(18)16(15)22-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide?
3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide has a molecular weight of 364.24 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-N-methyl-4-phenylmethoxybenzamide is sourced from PubChem (CID 1248235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).