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

C16H24FIN4O — CID 111075646

IUPACN-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
SMILESI.N/C(=N\CCNC(=O)c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C16H23FN4O.HI/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);1H
InChIKeyURHBVAVUHAUPTA-UHFFFAOYSA-N
MW434.30 g/mol
LogP2.41
Rot. Bonds5

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

N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide (PubChem CID 111075646) has the molecular formula C16H24FIN4O and a molecular weight of 434.30 g/mol. Its IUPAC name is N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
PubChem CID111075646
Molecular FormulaC16H24FIN4O
Molecular Weight434.30 g/mol
Exact Mass434.10
IUPAC NameN-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
SMILESI.N/C(=N\CCNC(=O)c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C16H23FN4O.HI/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);1H
InChIKeyURHBVAVUHAUPTA-UHFFFAOYSA-N
XLogP2.41
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.30
LogP ≤ 52.41
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075647
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
N-[2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 109437920
2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111816619
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide (CID 111075646) is N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide is I.N/C(=N\CCNC(=O)c1ccccc1F)NC1CCCCC1.
What is the InChIKey of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide?
The InChIKey is URHBVAVUHAUPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O.HI/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);1H.
What are the key properties of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide?
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide has a molecular weight of 434.30 g/mol, XLogP of 2.41, 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;hydroiodide is sourced from PubChem (CID 111075646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).