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

C17H19Cl2IN4O — CID 111055784

IUPACN-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
SMILESCc1ccc(N/C(N)=N/CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1.I
InChIInChI=1S/C17H18Cl2N4O.HI/c1-11-2-5-13(6-3-11)23-17(20)22-9-8-21-16(24)12-4-7-14(18)15(19)10-12;/h2-7,10H,8-9H2,1H3,(H,21,24)(H3,20,22,23);1H
InChIKeyIGVWDERTLDMXRT-UHFFFAOYSA-N
MW493.18 g/mol
LogP4.08
Rot. Bonds5

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

N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide (PubChem CID 111055784) has the molecular formula C17H19Cl2IN4O and a molecular weight of 493.18 g/mol. Its IUPAC name is N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
PubChem CID111055784
Molecular FormulaC17H19Cl2IN4O
Molecular Weight493.18 g/mol
Exact Mass492.00
IUPAC NameN-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
SMILESCc1ccc(N/C(N)=N/CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1.I
InChIInChI=1S/C17H18Cl2N4O.HI/c1-11-2-5-13(6-3-11)23-17(20)22-9-8-21-16(24)12-4-7-14(18)15(19)10-12;/h2-7,10H,8-9H2,1H3,(H,21,24)(H3,20,22,23);1H
InChIKeyIGVWDERTLDMXRT-UHFFFAOYSA-N
XLogP4.08
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.18
LogP ≤ 54.08
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'}

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Related Compounds

N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 110925367
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055808
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055780
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970
N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
CID 110914738
N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042989
N-[2-[[amino-(3,4-dimethylanilino)methylidene]amino]ethyl]-4-bromobenzamide;hydroiodide
CID 111075534
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055676
3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide
CID 38993458
N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055830
N-[2-[[amino-(3-methylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111043648
N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111092034

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide (CID 111055784) is N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide is Cc1ccc(N/C(N)=N/CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1.I.
What is the InChIKey of N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide?
The InChIKey is IGVWDERTLDMXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O.HI/c1-11-2-5-13(6-3-11)23-17(20)22-9-8-21-16(24)12-4-7-14(18)15(19)10-12;/h2-7,10H,8-9H2,1H3,(H,21,24)(H3,20,22,23);1H.
What are the key properties of N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide?
N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide has a molecular weight of 493.18 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide is sourced from PubChem (CID 111055784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).