N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide

C17H19Cl2IN4O2 — CID 111042989

IUPACN-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCNC(=O)c2ccc(Cl)cc2)cc1Cl.I
InChIInChI=1S/C17H18Cl2N4O2.HI/c1-25-15-7-6-13(10-14(15)19)23-17(20)22-9-8-21-16(24)11-2-4-12(18)5-3-11;/h2-7,10H,8-9H2,1H3,(H,21,24)(H3,20,22,23);1H
InChIKeyMCGXWDVSSHPAQE-UHFFFAOYSA-N
MW509.18 g/mol
LogP3.78
Rot. Bonds6

About N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide

N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide (PubChem CID 111042989) has the molecular formula C17H19Cl2IN4O2 and a molecular weight of 509.18 g/mol. Its IUPAC name is N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
PubChem CID111042989
Molecular FormulaC17H19Cl2IN4O2
Molecular Weight509.18 g/mol
Exact Mass507.99
IUPAC NameN-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCNC(=O)c2ccc(Cl)cc2)cc1Cl.I
InChIInChI=1S/C17H18Cl2N4O2.HI/c1-25-15-7-6-13(10-14(15)19)23-17(20)22-9-8-21-16(24)11-2-4-12(18)5-3-11;/h2-7,10H,8-9H2,1H3,(H,21,24)(H3,20,22,23);1H
InChIKeyMCGXWDVSSHPAQE-UHFFFAOYSA-N
XLogP3.78
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.18
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3-chloro-4-methoxyanilino)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-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-3-bromobenzamide
CID 111095118
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042937
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042938
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide
CID 110912605
4-[[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111048438
2-butyl-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111023202
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
CID 62379415
tert-butyl 3-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]propanoate;hydroiodide
CID 111804941
N-[2-[[amino-(3,4-dimethylanilino)methylidene]amino]ethyl]-4-bromobenzamide;hydroiodide
CID 111075534
1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine
CID 62379243

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide (CID 111042989) is N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide is COc1ccc(N/C(N)=N/CCNC(=O)c2ccc(Cl)cc2)cc1Cl.I.
What is the InChIKey of N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
The InChIKey is MCGXWDVSSHPAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2.HI/c1-25-15-7-6-13(10-14(15)19)23-17(20)22-9-8-21-16(24)11-2-4-12(18)5-3-11;/h2-7,10H,8-9H2,1H3,(H,21,24)(H3,20,22,23);1H.
What are the key properties of N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide has a molecular weight of 509.18 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide is sourced from PubChem (CID 111042989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).