[(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium

C8H10ClN4O+ — CID 6343021

IUPAC[(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium
SMILESNC(N)=[NH+]NC(=O)c1ccccc1Cl
InChIInChI=1S/C8H9ClN4O/c9-6-4-2-1-3-5(6)7(14)12-13-8(10)11/h1-4H,(H,12,14)(H4,10,11,13)/p+1
InChIKeyKTCJMSKHHIHPCJ-UHFFFAOYSA-O
MW213.65 g/mol
LogP-1.66
Rot. Bonds2

About [(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium

[(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium (PubChem CID 6343021) has the molecular formula C8H10ClN4O+ and a molecular weight of 213.65 g/mol. Its IUPAC name is [(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium.

Molecular Properties

Compound Name[(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium
PubChem CID6343021
Molecular FormulaC8H10ClN4O+
Molecular Weight213.65 g/mol
Exact Mass213.05
IUPAC Name[(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium
SMILESNC(N)=[NH+]NC(=O)c1ccccc1Cl
InChIInChI=1S/C8H9ClN4O/c9-6-4-2-1-3-5(6)7(14)12-13-8(10)11/h1-4H,(H,12,14)(H4,10,11,13)/p+1
InChIKeyKTCJMSKHHIHPCJ-UHFFFAOYSA-O
XLogP-1.66
TPSA95.11 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium 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-carbamothioyl-2-chlorobenzamide
CID 3909253
2-[(2-chlorobenzoyl)amino]propanediamide
CID 31062751
2-chloro-N-sulfamoylbenzamide
CID 54547559
2-chloro-N-formylbenzamide
CID 87771443
(2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 1248820
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
[4-[(2-chlorobenzoyl)carbamothioylamino]phenyl]sulfonyl-(diaminomethylidene)azanium
CID 7304437
3-chloro-2-hydroxybenzohydrazide;hydrochloride
CID 130771033
2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide
CID 110918726
(2R)-4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 2302928
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194

Frequently Asked Questions

What is the IUPAC name of [(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium?
The IUPAC name of [(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium (CID 6343021) is [(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium.
What is the SMILES notation for [(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium?
The canonical SMILES for [(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium is NC(N)=[NH+]NC(=O)c1ccccc1Cl.
What is the InChIKey of [(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium?
The InChIKey is KTCJMSKHHIHPCJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9ClN4O/c9-6-4-2-1-3-5(6)7(14)12-13-8(10)11/h1-4H,(H,12,14)(H4,10,11,13)/p+1.
What are the key properties of [(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium?
[(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium has a molecular weight of 213.65 g/mol, XLogP of -1.66, 2 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium is sourced from PubChem (CID 6343021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).