2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide

C15H20BrN3O2 — CID 2425697

IUPAC2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
SMILESCN1CCCN(C(=O)CNC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C15H20BrN3O2/c1-18-7-4-8-19(10-9-18)14(20)11-17-15(21)12-5-2-3-6-13(12)16/h2-3,5-6H,4,7-11H2,1H3,(H,17,21)
InChIKeyUHJHHXNZPFQXOL-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.34
Rot. Bonds3

About 2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide

2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide (PubChem CID 2425697) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
PubChem CID2425697
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
SMILESCN1CCCN(C(=O)CNC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C15H20BrN3O2/c1-18-7-4-8-19(10-9-18)14(20)11-17-15(21)12-5-2-3-6-13(12)16/h2-3,5-6H,4,7-11H2,1H3,(H,17,21)
InChIKeyUHJHHXNZPFQXOL-UHFFFAOYSA-N
XLogP1.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide (CID 2425697) is 2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide is CN1CCCN(C(=O)CNC(=O)c2ccccc2Br)CC1.
What is the InChIKey of 2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide?
The InChIKey is UHJHHXNZPFQXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-18-7-4-8-19(10-9-18)14(20)11-17-15(21)12-5-2-3-6-13(12)16/h2-3,5-6H,4,7-11H2,1H3,(H,17,21).
What are the key properties of 2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide?
2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide has a molecular weight of 354.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 2425697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).