N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide

C14H20ClIN4O — CID 110029755

IUPACN-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
SMILESCN(/C(N)=N/CCNC(=O)c1ccccc1Cl)C1CC1.I
InChIInChI=1S/C14H19ClN4O.HI/c1-19(10-6-7-10)14(16)18-9-8-17-13(20)11-4-2-3-5-12(11)15;/h2-5,10H,6-9H2,1H3,(H2,16,18)(H,17,20);1H
InChIKeyJYKXQBNWCJHULE-UHFFFAOYSA-N
MW422.70 g/mol
LogP2.10
Rot. Bonds5

About N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide

N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide (PubChem CID 110029755) has the molecular formula C14H20ClIN4O and a molecular weight of 422.70 g/mol. Its IUPAC name is N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
PubChem CID110029755
Molecular FormulaC14H20ClIN4O
Molecular Weight422.70 g/mol
Exact Mass422.04
IUPAC NameN-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
SMILESCN(/C(N)=N/CCNC(=O)c1ccccc1Cl)C1CC1.I
InChIInChI=1S/C14H19ClN4O.HI/c1-19(10-6-7-10)14(16)18-9-8-17-13(20)11-4-2-3-5-12(11)15;/h2-5,10H,6-9H2,1H3,(H2,16,18)(H,17,20);1H
InChIKeyJYKXQBNWCJHULE-UHFFFAOYSA-N
XLogP2.10
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.70
LogP ≤ 52.10
H-Bond Donors ≤ 52
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

2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide
CID 110918726
N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide
CID 110918735
N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 110029764
N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 111043317
2-chloro-N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111043273
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075663
2-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 120973888
N-[2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 119118104
2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine
CID 110031832
1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110029505
2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide
CID 111123905
2-chloro-N-[2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]ethyl]benzamide;hydroiodide
CID 111281922

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide?
The IUPAC name of N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide (CID 110029755) is N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide is CN(/C(N)=N/CCNC(=O)c1ccccc1Cl)C1CC1.I.
What is the InChIKey of N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide?
The InChIKey is JYKXQBNWCJHULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O.HI/c1-19(10-6-7-10)14(16)18-9-8-17-13(20)11-4-2-3-5-12(11)15;/h2-5,10H,6-9H2,1H3,(H2,16,18)(H,17,20);1H.
What are the key properties of N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide?
N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide has a molecular weight of 422.70 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide is sourced from PubChem (CID 110029755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).