N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide

C16H24ClIN4O — CID 111042945

IUPACN-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
SMILESI.N/C(=N\CCNC(=O)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C16H23ClN4O.HI/c17-13-8-6-12(7-9-13)15(22)19-10-11-20-16(18)21-14-4-2-1-3-5-14;/h6-9,14H,1-5,10-11H2,(H,19,22)(H3,18,20,21);1H
InChIKeyRHBOTKGMVOCXQT-UHFFFAOYSA-N
MW450.75 g/mol
LogP2.92
Rot. Bonds5

About N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide

N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide (PubChem CID 111042945) has the molecular formula C16H24ClIN4O and a molecular weight of 450.75 g/mol. Its IUPAC name is N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
PubChem CID111042945
Molecular FormulaC16H24ClIN4O
Molecular Weight450.75 g/mol
Exact Mass450.07
IUPAC NameN-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
SMILESI.N/C(=N\CCNC(=O)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C16H23ClN4O.HI/c17-13-8-6-12(7-9-13)15(22)19-10-11-20-16(18)21-14-4-2-1-3-5-14;/h6-9,14H,1-5,10-11H2,(H,19,22)(H3,18,20,21);1H
InChIKeyRHBOTKGMVOCXQT-UHFFFAOYSA-N
XLogP2.92
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.75
LogP ≤ 52.92
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;hydroiodide
CID 111075646
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075647
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044439
2-[2-(4-chlorophenoxy)ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119117520
N-[2-[[amino-(cyclopropylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 110917991
N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide
CID 62364503
4-chloro-N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]benzamide
CID 111189216
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095548
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970
ethyl 4-[[N'-(2-benzamidoethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111042717

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide (CID 111042945) is N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide is I.N/C(=N\CCNC(=O)c1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
The InChIKey is RHBOTKGMVOCXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O.HI/c17-13-8-6-12(7-9-13)15(22)19-10-11-20-16(18)21-14-4-2-1-3-5-14;/h6-9,14H,1-5,10-11H2,(H,19,22)(H3,18,20,21);1H.
What are the key properties of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide has a molecular weight of 450.75 g/mol, XLogP of 2.92, 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]-4-chlorobenzamide;hydroiodide is sourced from PubChem (CID 111042945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).