N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide

C17H20FIN4O — CID 110914738

IUPACN-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
SMILESCc1ccc(C(=O)NCC/N=C(\N)Nc2ccccc2)cc1F.I
InChIInChI=1S/C17H19FN4O.HI/c1-12-7-8-13(11-15(12)18)16(23)20-9-10-21-17(19)22-14-5-3-2-4-6-14;/h2-8,11H,9-10H2,1H3,(H,20,23)(H3,19,21,22);1H
InChIKeyJCPAMPUOUNAECB-UHFFFAOYSA-N
MW442.28 g/mol
LogP2.91
Rot. Bonds5

About N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide

N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide (PubChem CID 110914738) has the molecular formula C17H20FIN4O and a molecular weight of 442.28 g/mol. Its IUPAC name is N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
PubChem CID110914738
Molecular FormulaC17H20FIN4O
Molecular Weight442.28 g/mol
Exact Mass442.07
IUPAC NameN-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
SMILESCc1ccc(C(=O)NCC/N=C(\N)Nc2ccccc2)cc1F.I
InChIInChI=1S/C17H19FN4O.HI/c1-12-7-8-13(11-15(12)18)16(23)20-9-10-21-17(19)22-14-5-3-2-4-6-14;/h2-8,11H,9-10H2,1H3,(H,20,23)(H3,19,21,22);1H
InChIKeyJCPAMPUOUNAECB-UHFFFAOYSA-N
XLogP2.91
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.28
LogP ≤ 52.91
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-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;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-[[amino-(3-methylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111043648
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
CID 111043687
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111043668
N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 110925367
N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111720905
N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055784
N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 110029764
N-[2-[[amino-(3,4-dimethylanilino)methylidene]amino]ethyl]-4-bromobenzamide;hydroiodide
CID 111075534
N-[3-[[amino-(3-methylanilino)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094048
N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide
CID 110918735
tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide
CID 110916684
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042937

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide?
The IUPAC name of N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide (CID 110914738) is N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide is Cc1ccc(C(=O)NCC/N=C(\N)Nc2ccccc2)cc1F.I.
What is the InChIKey of N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide?
The InChIKey is JCPAMPUOUNAECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O.HI/c1-12-7-8-13(11-15(12)18)16(23)20-9-10-21-17(19)22-14-5-3-2-4-6-14;/h2-8,11H,9-10H2,1H3,(H,20,23)(H3,19,21,22);1H.
What are the key properties of N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide?
N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide has a molecular weight of 442.28 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide is sourced from PubChem (CID 110914738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).