4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one

C15H22BrN3O — CID 102888473

IUPAC4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one
SMILESCC(N)C(c1ccccc1Br)N1CCCN(C)C(=O)C1
InChIInChI=1S/C15H22BrN3O/c1-11(17)15(12-6-3-4-7-13(12)16)19-9-5-8-18(2)14(20)10-19/h3-4,6-7,11,15H,5,8-10,17H2,1-2H3
InChIKeyFHNBVGSLBMHOCG-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.00
Rot. Bonds3

About 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one

4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102888473) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one
PubChem CID102888473
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one
SMILESCC(N)C(c1ccccc1Br)N1CCCN(C)C(=O)C1
InChIInChI=1S/C15H22BrN3O/c1-11(17)15(12-6-3-4-7-13(12)16)19-9-5-8-18(2)14(20)10-19/h3-4,6-7,11,15H,5,8-10,17H2,1-2H3
InChIKeyFHNBVGSLBMHOCG-UHFFFAOYSA-N
XLogP2.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one (CID 102888473) is 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one is CC(N)C(c1ccccc1Br)N1CCCN(C)C(=O)C1.
What is the InChIKey of 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is FHNBVGSLBMHOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-11(17)15(12-6-3-4-7-13(12)16)19-9-5-8-18(2)14(20)10-19/h3-4,6-7,11,15H,5,8-10,17H2,1-2H3.
What are the key properties of 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one?
4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 340.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).