2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide

C10H14ClIN4O — CID 110918726

IUPAC2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide
SMILESI.NC(N)=NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C10H13ClN4O.HI/c11-8-4-2-1-3-7(8)9(16)14-5-6-15-10(12)13;/h1-4H,5-6H2,(H,14,16)(H4,12,13,15);1H
InChIKeyPXXYDLQRKLFKCJ-UHFFFAOYSA-N
MW368.61 g/mol
LogP0.96
Rot. Bonds4

About 2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide

2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide (PubChem CID 110918726) has the molecular formula C10H14ClIN4O and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide.

Molecular Properties

Compound Name2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide
PubChem CID110918726
Molecular FormulaC10H14ClIN4O
Molecular Weight368.61 g/mol
Exact Mass367.99
IUPAC Name2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide
SMILESI.NC(N)=NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C10H13ClN4O.HI/c11-8-4-2-1-3-7(8)9(16)14-5-6-15-10(12)13;/h1-4H,5-6H2,(H,14,16)(H4,12,13,15);1H
InChIKeyPXXYDLQRKLFKCJ-UHFFFAOYSA-N
XLogP0.96
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 50.96
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]-2-chlorobenzamide
CID 110918735
N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 110029755
2-chloro-N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111043273
N-[2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 119118104
N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 111043317
2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide
CID 111123905
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
2-chloro-N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111043298
N-(3-azidopropyl)-2-chlorobenzamide
CID 61343976
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide?
The IUPAC name of 2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide (CID 110918726) is 2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide.
What is the SMILES notation for 2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide?
The canonical SMILES for 2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide is I.NC(N)=NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide?
The InChIKey is PXXYDLQRKLFKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O.HI/c11-8-4-2-1-3-7(8)9(16)14-5-6-15-10(12)13;/h1-4H,5-6H2,(H,14,16)(H4,12,13,15);1H.
What are the key properties of 2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide?
2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide has a molecular weight of 368.61 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide is sourced from PubChem (CID 110918726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).