2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide

C16H24BrN3O — CID 107278749

IUPAC2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide
SMILESCCCC1CCCN(c2ccc(/C(N)=N/O)c(Br)c2)CC1
InChIInChI=1S/C16H24BrN3O/c1-2-4-12-5-3-9-20(10-8-12)13-6-7-14(15(17)11-13)16(18)19-21/h6-7,11-12,21H,2-5,8-10H2,1H3,(H2,18,19)
InChIKeyQOROTZZCCNGNIO-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.95
Rot. Bonds4

About 2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide

2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide (PubChem CID 107278749) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide
PubChem CID107278749
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide
SMILESCCCC1CCCN(c2ccc(/C(N)=N/O)c(Br)c2)CC1
InChIInChI=1S/C16H24BrN3O/c1-2-4-12-5-3-9-20(10-8-12)13-6-7-14(15(17)11-13)16(18)19-21/h6-7,11-12,21H,2-5,8-10H2,1H3,(H2,18,19)
InChIKeyQOROTZZCCNGNIO-UHFFFAOYSA-N
XLogP3.95
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-N'-hydroxy-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 107278750
2-bromo-N'-hydroxy-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 107278801
2-bromo-N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 107278802
N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 55050027
2-bromo-N'-hydroxy-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107278827
2-bromo-4-(4-propylazepan-1-yl)benzonitrile
CID 107276420
2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 107278551
N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 107929898
2-bromo-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 107278710
N'-hydroxy-2-methyl-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 81273838
2-(4-ethylazepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77024659
2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 107278745

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide (CID 107278749) is 2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide is CCCC1CCCN(c2ccc(/C(N)=N/O)c(Br)c2)CC1.
What is the InChIKey of 2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide?
The InChIKey is QOROTZZCCNGNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-2-4-12-5-3-9-20(10-8-12)13-6-7-14(15(17)11-13)16(18)19-21/h6-7,11-12,21H,2-5,8-10H2,1H3,(H2,18,19).
What are the key properties of 2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide?
2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide has a molecular weight of 354.29 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107278749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).