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

C17H20ClIN4O2 — CID 111042937

IUPACN-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCNC(=O)c2ccc(Cl)cc2)c1.I
InChIInChI=1S/C17H19ClN4O2.HI/c1-24-15-4-2-3-14(11-15)22-17(19)21-10-9-20-16(23)12-5-7-13(18)8-6-12;/h2-8,11H,9-10H2,1H3,(H,20,23)(H3,19,21,22);1H
InChIKeyVLNQIDACNRRWMT-UHFFFAOYSA-N
MW474.73 g/mol
LogP3.12
Rot. Bonds6

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

N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide (PubChem CID 111042937) has the molecular formula C17H20ClIN4O2 and a molecular weight of 474.73 g/mol. Its IUPAC name is N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
PubChem CID111042937
Molecular FormulaC17H20ClIN4O2
Molecular Weight474.73 g/mol
Exact Mass474.03
IUPAC NameN-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCNC(=O)c2ccc(Cl)cc2)c1.I
InChIInChI=1S/C17H19ClN4O2.HI/c1-24-15-4-2-3-14(11-15)22-17(19)21-10-9-20-16(23)12-5-7-13(18)8-6-12;/h2-8,11H,9-10H2,1H3,(H,20,23)(H3,19,21,22);1H
InChIKeyVLNQIDACNRRWMT-UHFFFAOYSA-N
XLogP3.12
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.73
LogP ≤ 53.12
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'}

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Related Compounds

N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042938
N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042989
N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111043065
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111030481
N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]-3-bromobenzamide;hydroiodide
CID 111094126
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055676
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-3-methoxybenzamide
CID 111043064
2-[2-(3-chlorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111031316
N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111043011
4-[[[amino-(3-methoxyanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111048346
N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 110925367

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide (CID 111042937) is N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide is COc1cccc(N/C(N)=N/CCNC(=O)c2ccc(Cl)cc2)c1.I.
What is the InChIKey of N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
The InChIKey is VLNQIDACNRRWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2.HI/c1-24-15-4-2-3-14(11-15)22-17(19)21-10-9-20-16(23)12-5-7-13(18)8-6-12;/h2-8,11H,9-10H2,1H3,(H,20,23)(H3,19,21,22);1H.
What are the key properties of N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide?
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide has a molecular weight of 474.73 g/mol, XLogP of 3.12, 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-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide is sourced from PubChem (CID 111042937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).