3-bromo-N-ethyl-4-methoxy-N-propylbenzamide

C13H18BrNO2 — CID 60738275

IUPAC3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-4-8-15(5-2)13(16)10-6-7-12(17-3)11(14)9-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyOCJCZAFMUAGAOF-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.33
Rot. Bonds5

About 3-bromo-N-ethyl-4-methoxy-N-propylbenzamide

3-bromo-N-ethyl-4-methoxy-N-propylbenzamide (PubChem CID 60738275) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-methoxy-N-propylbenzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
PubChem CID60738275
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-4-8-15(5-2)13(16)10-6-7-12(17-3)11(14)9-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyOCJCZAFMUAGAOF-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
CID 60667723
3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61040728
N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
CID 60660630
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61025267
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
3-bromo-4-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773146
3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993
N-(2-bromoethyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 80660405
3-bromo-N-(2-bromoethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492573
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
CID 60661053
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-methoxy-N-propylbenzamide?
The IUPAC name of 3-bromo-N-ethyl-4-methoxy-N-propylbenzamide (CID 60738275) is 3-bromo-N-ethyl-4-methoxy-N-propylbenzamide.
What is the SMILES notation for 3-bromo-N-ethyl-4-methoxy-N-propylbenzamide?
The canonical SMILES for 3-bromo-N-ethyl-4-methoxy-N-propylbenzamide is CCCN(CC)C(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-N-ethyl-4-methoxy-N-propylbenzamide?
The InChIKey is OCJCZAFMUAGAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-4-8-15(5-2)13(16)10-6-7-12(17-3)11(14)9-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 3-bromo-N-ethyl-4-methoxy-N-propylbenzamide?
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide has a molecular weight of 300.20 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-methoxy-N-propylbenzamide is sourced from PubChem (CID 60738275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).