5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide

C15H22FN3O — CID 77029815

IUPAC5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
SMILESCC1CCCC(NCc2ccc(F)cc2C(N)=NO)C1
InChIInChI=1S/C15H22FN3O/c1-10-3-2-4-13(7-10)18-9-11-5-6-12(16)8-14(11)15(17)19-20/h5-6,8,10,13,18,20H,2-4,7,9H2,1H3,(H2,17,19)
InChIKeyYPJDPCZKNLEZPL-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.59
Rot. Bonds4

About 5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide

5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide (PubChem CID 77029815) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
PubChem CID77029815
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
SMILESCC1CCCC(NCc2ccc(F)cc2C(N)=NO)C1
InChIInChI=1S/C15H22FN3O/c1-10-3-2-4-13(7-10)18-9-11-5-6-12(16)8-14(11)15(17)19-20/h5-6,8,10,13,18,20H,2-4,7,9H2,1H3,(H2,17,19)
InChIKeyYPJDPCZKNLEZPL-UHFFFAOYSA-N
XLogP2.59
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.59
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide (CID 77029815) is 5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide is CC1CCCC(NCc2ccc(F)cc2C(N)=NO)C1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
The InChIKey is YPJDPCZKNLEZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-3-2-4-13(7-10)18-9-11-5-6-12(16)8-14(11)15(17)19-20/h5-6,8,10,13,18,20H,2-4,7,9H2,1H3,(H2,17,19).
What are the key properties of 5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide has a molecular weight of 279.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77029815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).