N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide

C16H26ClIN4O — CID 110965196

IUPACN-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1ccc(Cl)cc1)NC(C)(C)C.I
InChIInChI=1S/C16H25ClN4O.HI/c1-5-18-15(21-16(2,3)4)20-11-10-19-14(22)12-6-8-13(17)9-7-12;/h6-9H,5,10-11H2,1-4H3,(H,19,22)(H2,18,20,21);1H
InChIKeyFCPZBTWLBKDFFT-UHFFFAOYSA-N
MW452.77 g/mol
LogP3.04
Rot. Bonds5

About N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide

N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide (PubChem CID 110965196) has the molecular formula C16H26ClIN4O and a molecular weight of 452.77 g/mol. Its IUPAC name is N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
PubChem CID110965196
Molecular FormulaC16H26ClIN4O
Molecular Weight452.77 g/mol
Exact Mass452.08
IUPAC NameN-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)c1ccc(Cl)cc1)NC(C)(C)C.I
InChIInChI=1S/C16H25ClN4O.HI/c1-5-18-15(21-16(2,3)4)20-11-10-19-14(22)12-6-8-13(17)9-7-12;/h6-9H,5,10-11H2,1-4H3,(H,19,22)(H2,18,20,21);1H
InChIKeyFCPZBTWLBKDFFT-UHFFFAOYSA-N
XLogP3.04
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.77
LogP ≤ 53.04
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'}

Analyze N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-chlorobenzamide
CID 138994545
N-[3-[[(tert-butylamino)-(ethylamino)methylidene]amino]propyl]benzamide;hydroiodide
CID 110966055
4-chloro-N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]benzamide
CID 111189216
N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide
CID 110918641
1-tert-butyl-2-[2-(3-chlorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110966543
4-chloro-N-[2-[[N-ethyl-N'-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111313263
N-[2-[[[1-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111319745
N-[2-[[N'-[(4-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111131727
N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111125900
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 110988293
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110944024
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
The IUPAC name of N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide (CID 110965196) is N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
The canonical SMILES for N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide is CCN/C(=N\CCNC(=O)c1ccc(Cl)cc1)NC(C)(C)C.I.
What is the InChIKey of N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
The InChIKey is FCPZBTWLBKDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O.HI/c1-5-18-15(21-16(2,3)4)20-11-10-19-14(22)12-6-8-13(17)9-7-12;/h6-9H,5,10-11H2,1-4H3,(H,19,22)(H2,18,20,21);1H.
What are the key properties of N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide has a molecular weight of 452.77 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(tert-butylamino)-(ethylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide is sourced from PubChem (CID 110965196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).