2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide

C15H22BrN3O — CID 104979596

IUPAC2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1)C1CCCNCC1
InChIInChI=1S/C15H22BrN3O/c1-19(14-3-2-9-17-10-8-14)11-15(20)18-13-6-4-12(16)5-7-13/h4-7,14,17H,2-3,8-11H2,1H3,(H,18,20)
InChIKeyUBZKLJYYHWFLFZ-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.46
Rot. Bonds4

About 2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide

2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide (PubChem CID 104979596) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide
PubChem CID104979596
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1)C1CCCNCC1
InChIInChI=1S/C15H22BrN3O/c1-19(14-3-2-9-17-10-8-14)11-15(20)18-13-6-4-12(16)5-7-13/h4-7,14,17H,2-3,8-11H2,1H3,(H,18,20)
InChIKeyUBZKLJYYHWFLFZ-UHFFFAOYSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azepan-4-yl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 104979514
N-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607437
N-(4-cyanophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607310
N-(4-ethoxyphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607524
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607565
N-(4-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922897
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607404
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
N-(4-bromophenyl)-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60911559

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide (CID 104979596) is 2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide is CN(CC(=O)Nc1ccc(Br)cc1)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide?
The InChIKey is UBZKLJYYHWFLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-19(14-3-2-9-17-10-8-14)11-15(20)18-13-6-4-12(16)5-7-13/h4-7,14,17H,2-3,8-11H2,1H3,(H,18,20).
What are the key properties of 2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide?
2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide has a molecular weight of 340.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 104979596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).