3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide

C13H18BrNO3 — CID 2224385

IUPAC3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NCC)cc1OC
InChIInChI=1S/C13H18BrNO3/c1-4-6-18-12-10(14)7-9(8-11(12)17-3)13(16)15-5-2/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyOSBPQXBLUYMBPD-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.00
Rot. Bonds6

About 3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide

3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide (PubChem CID 2224385) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide
PubChem CID2224385
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC Name3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NCC)cc1OC
InChIInChI=1S/C13H18BrNO3/c1-4-6-18-12-10(14)7-9(8-11(12)17-3)13(16)15-5-2/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyOSBPQXBLUYMBPD-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide (CID 2224385) is 3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)NCC)cc1OC.
What is the InChIKey of 3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide?
The InChIKey is OSBPQXBLUYMBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-4-6-18-12-10(14)7-9(8-11(12)17-3)13(16)15-5-2/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide?
3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide has a molecular weight of 316.20 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 2224385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).