N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide

C16H17Cl2IN4O — CID 110925367

IUPACN-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
SMILESI.N/C(=N\CCNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1
InChIInChI=1S/C16H16Cl2N4O.HI/c17-13-7-6-11(10-14(13)18)15(23)20-8-9-21-16(19)22-12-4-2-1-3-5-12;/h1-7,10H,8-9H2,(H,20,23)(H3,19,21,22);1H
InChIKeyAWARPBBSDSSKJS-UHFFFAOYSA-N
MW479.15 g/mol
LogP3.77
Rot. Bonds5

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

N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide (PubChem CID 110925367) has the molecular formula C16H17Cl2IN4O and a molecular weight of 479.15 g/mol. Its IUPAC name is N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
PubChem CID110925367
Molecular FormulaC16H17Cl2IN4O
Molecular Weight479.15 g/mol
Exact Mass477.98
IUPAC NameN-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
SMILESI.N/C(=N\CCNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1
InChIInChI=1S/C16H16Cl2N4O.HI/c17-13-7-6-11(10-14(13)18)15(23)20-8-9-21-16(19)22-12-4-2-1-3-5-12;/h1-7,10H,8-9H2,(H,20,23)(H3,19,21,22);1H
InChIKeyAWARPBBSDSSKJS-UHFFFAOYSA-N
XLogP3.77
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.15
LogP ≤ 53.77
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]-3,4-dichlorobenzamide;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-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055784
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055808
N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
CID 110914738
N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide
CID 110918735
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055780
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042937
N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055830
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042938
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111042722
N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042989
N-[2-[[amino-(3-methylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111043648

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide?
The IUPAC name of N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide (CID 110925367) is N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide is I.N/C(=N\CCNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1.
What is the InChIKey of N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide?
The InChIKey is AWARPBBSDSSKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O.HI/c17-13-7-6-11(10-14(13)18)15(23)20-8-9-21-16(19)22-12-4-2-1-3-5-12;/h1-7,10H,8-9H2,(H,20,23)(H3,19,21,22);1H.
What are the key properties of N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide?
N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide has a molecular weight of 479.15 g/mol, XLogP of 3.77, 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]-3,4-dichlorobenzamide;hydroiodide is sourced from PubChem (CID 110925367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).