3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide

C16H23BrN2O4 — CID 39948024

IUPAC3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(OC)cc(Br)c1OC
InChIInChI=1S/C16H23BrN2O4/c1-6-19(7-2)14(20)10-18(3)16(21)12-8-11(22-4)9-13(17)15(12)23-5/h8-9H,6-7,10H2,1-5H3
InChIKeyTVYUGIOQOUYURJ-UHFFFAOYSA-N
MW387.27 g/mol
LogP2.41
Rot. Bonds7

About 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide

3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide (PubChem CID 39948024) has the molecular formula C16H23BrN2O4 and a molecular weight of 387.27 g/mol. Its IUPAC name is 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide
PubChem CID39948024
Molecular FormulaC16H23BrN2O4
Molecular Weight387.27 g/mol
Exact Mass386.08
IUPAC Name3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(OC)cc(Br)c1OC
InChIInChI=1S/C16H23BrN2O4/c1-6-19(7-2)14(20)10-18(3)16(21)12-8-11(22-4)9-13(17)15(12)23-5/h8-9H,6-7,10H2,1-5H3
InChIKeyTVYUGIOQOUYURJ-UHFFFAOYSA-N
XLogP2.41
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide (CID 39948024) is 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide is CCN(CC)C(=O)CN(C)C(=O)c1cc(OC)cc(Br)c1OC.
What is the InChIKey of 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide?
The InChIKey is TVYUGIOQOUYURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O4/c1-6-19(7-2)14(20)10-18(3)16(21)12-8-11(22-4)9-13(17)15(12)23-5/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide?
3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide has a molecular weight of 387.27 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 39948024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).