N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide

C15H20FN3O2 — CID 76995371

IUPACN-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide
SMILESNC(=NO)c1ccc(CNC(=O)C2CCCCC2)c(F)c1
InChIInChI=1S/C15H20FN3O2/c16-13-8-11(14(17)19-21)6-7-12(13)9-18-15(20)10-4-2-1-3-5-10/h6-8,10,21H,1-5,9H2,(H2,17,19)(H,18,20)
InChIKeyYDFHAYXCZVEQDR-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.12
Rot. Bonds4

About N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide

N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide (PubChem CID 76995371) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide
PubChem CID76995371
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide
SMILESNC(=NO)c1ccc(CNC(=O)C2CCCCC2)c(F)c1
InChIInChI=1S/C15H20FN3O2/c16-13-8-11(14(17)19-21)6-7-12(13)9-18-15(20)10-4-2-1-3-5-10/h6-8,10,21H,1-5,9H2,(H2,17,19)(H,18,20)
InChIKeyYDFHAYXCZVEQDR-UHFFFAOYSA-N
XLogP2.12
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.12
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 N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide (CID 76995371) is N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide is NC(=NO)c1ccc(CNC(=O)C2CCCCC2)c(F)c1.
What is the InChIKey of N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide?
The InChIKey is YDFHAYXCZVEQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-13-8-11(14(17)19-21)6-7-12(13)9-18-15(20)10-4-2-1-3-5-10/h6-8,10,21H,1-5,9H2,(H2,17,19)(H,18,20).
What are the key properties of N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide?
N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide has a molecular weight of 293.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 76995371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).