4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide

C15H21F2N3O — CID 81286775

IUPAC4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCN(c2c(F)cc(C(N)=NO)cc2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-2-10-4-3-6-20(7-5-10)14-12(16)8-11(9-13(14)17)15(18)19-21/h8-10,21H,2-7H2,1H3,(H2,18,19)
InChIKeyNJCVCKYMJLLEBH-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.08
Rot. Bonds3

About 4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide

4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 81286775) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
PubChem CID81286775
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCN(c2c(F)cc(C(N)=NO)cc2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-2-10-4-3-6-20(7-5-10)14-12(16)8-11(9-13(14)17)15(18)19-21/h8-10,21H,2-7H2,1H3,(H2,18,19)
InChIKeyNJCVCKYMJLLEBH-UHFFFAOYSA-N
XLogP3.08
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.08
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 4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide 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

4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 61421396
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-ethylazepane
CID 107083954
4-(4-ethylazepan-1-yl)-3,5-difluorobenzonitrile
CID 78992299
4-chloro-2-(4-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 77024630
4-[(4-ethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76903859
2-(4-ethylazepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77024659
5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990674
3-bromo-4-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799600
3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76984457
3-fluoro-N'-hydroxy-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 77024723
3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799177
3,5-difluoro-N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]benzenecarboximidamide
CID 102781366

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide (CID 81286775) is 4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide is CCC1CCCN(c2c(F)cc(C(N)=NO)cc2F)CC1.
What is the InChIKey of 4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is NJCVCKYMJLLEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-2-10-4-3-6-20(7-5-10)14-12(16)8-11(9-13(14)17)15(18)19-21/h8-10,21H,2-7H2,1H3,(H2,18,19).
What are the key properties of 4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 297.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81286775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).