4-bromo-N-ethyl-N-propylbenzamide

C12H16BrNO — CID 43243426

IUPAC4-bromo-N-ethyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-3-9-14(4-2)12(15)10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyOMWXCWOXFILBMG-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.32
Rot. Bonds4

About 4-bromo-N-ethyl-N-propylbenzamide

4-bromo-N-ethyl-N-propylbenzamide (PubChem CID 43243426) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-propylbenzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-propylbenzamide
PubChem CID43243426
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name4-bromo-N-ethyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-3-9-14(4-2)12(15)10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyOMWXCWOXFILBMG-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-propylbenzamide?
The IUPAC name of 4-bromo-N-ethyl-N-propylbenzamide (CID 43243426) is 4-bromo-N-ethyl-N-propylbenzamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-propylbenzamide?
The canonical SMILES for 4-bromo-N-ethyl-N-propylbenzamide is CCCN(CC)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-ethyl-N-propylbenzamide?
The InChIKey is OMWXCWOXFILBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-3-9-14(4-2)12(15)10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-N-propylbenzamide?
4-bromo-N-ethyl-N-propylbenzamide has a molecular weight of 270.17 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-propylbenzamide is sourced from PubChem (CID 43243426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).