N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide

C16H23FN4O — CID 111075647

IUPACN-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide
SMILESN/C(=N\CCNC(=O)c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C16H23FN4O/c17-14-9-5-4-8-13(14)15(22)19-10-11-20-16(18)21-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,22)(H3,18,20,21)
InChIKeyRXYKJQOMKZKFOZ-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.79
Rot. Bonds5

About N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide

N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide (PubChem CID 111075647) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide
PubChem CID111075647
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC NameN-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide
SMILESN/C(=N\CCNC(=O)c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C16H23FN4O/c17-14-9-5-4-8-13(14)15(22)19-10-11-20-16(18)21-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,22)(H3,18,20,21)
InChIKeyRXYKJQOMKZKFOZ-UHFFFAOYSA-N
XLogP1.79
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 111075646
N-[2-[[amino-(cyclopropylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 110917991
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042945
N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide
CID 62364503
N-(cyclohexylcarbamothioyl)-2-fluorobenzamide
CID 4950383
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095548
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075663
2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine
CID 119119816
2-fluoro-N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]benzamide
CID 111075665

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide (CID 111075647) is N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide is N/C(=N\CCNC(=O)c1ccccc1F)NC1CCCCC1.
What is the InChIKey of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide?
The InChIKey is RXYKJQOMKZKFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c17-14-9-5-4-8-13(14)15(22)19-10-11-20-16(18)21-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,22)(H3,18,20,21).
What are the key properties of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide?
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide has a molecular weight of 306.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 111075647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).