N-(diaminomethylideneamino)benzamide;hydrochloride

C8H11ClN4O — CID 156587607

IUPACN-(diaminomethylideneamino)benzamide;hydrochloride
SMILESCl.NC(N)=NNC(=O)c1ccccc1
InChIInChI=1S/C8H10N4O.ClH/c9-8(10)12-11-7(13)6-4-2-1-3-5-6;/h1-5H,(H,11,13)(H4,9,10,12);1H
InChIKeyBCANANKIFLSCIM-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.03
Rot. Bonds2

About N-(diaminomethylideneamino)benzamide;hydrochloride

N-(diaminomethylideneamino)benzamide;hydrochloride (PubChem CID 156587607) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is N-(diaminomethylideneamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylideneamino)benzamide;hydrochloride
PubChem CID156587607
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC NameN-(diaminomethylideneamino)benzamide;hydrochloride
SMILESCl.NC(N)=NNC(=O)c1ccccc1
InChIInChI=1S/C8H10N4O.ClH/c9-8(10)12-11-7(13)6-4-2-1-3-5-6;/h1-5H,(H,11,13)(H4,9,10,12);1H
InChIKeyBCANANKIFLSCIM-UHFFFAOYSA-N
XLogP0.03
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide
CID 154143836
N-[(4-amino-4-oxobutan-2-ylidene)amino]benzamide
CID 3434794
N-[(E)-(1-amino-2-methoxyethylidene)amino]benzamide
CID 91616878
N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-(diaminomethylideneamino)-4-nitrobenzamide
CID 10632849
N-carbamoylbenzamide;urea
CID 157303801
N-(1,3-diphenylpropan-2-ylideneamino)benzamide
CID 5109505
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide
CID 129248931
N-[(E)-1,1,1-trideuteriopropan-2-ylideneamino]benzamide
CID 175869908
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
CID 6322956
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylideneamino)benzamide;hydrochloride?
The IUPAC name of N-(diaminomethylideneamino)benzamide;hydrochloride (CID 156587607) is N-(diaminomethylideneamino)benzamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylideneamino)benzamide;hydrochloride?
The canonical SMILES for N-(diaminomethylideneamino)benzamide;hydrochloride is Cl.NC(N)=NNC(=O)c1ccccc1.
What is the InChIKey of N-(diaminomethylideneamino)benzamide;hydrochloride?
The InChIKey is BCANANKIFLSCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O.ClH/c9-8(10)12-11-7(13)6-4-2-1-3-5-6;/h1-5H,(H,11,13)(H4,9,10,12);1H.
What are the key properties of N-(diaminomethylideneamino)benzamide;hydrochloride?
N-(diaminomethylideneamino)benzamide;hydrochloride has a molecular weight of 214.66 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylideneamino)benzamide;hydrochloride is sourced from PubChem (CID 156587607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).