4-(1-aminoethylideneamino)benzamide;hydrochloride

C9H12ClN3O — CID 45264763

IUPAC4-(1-aminoethylideneamino)benzamide;hydrochloride
SMILESC/C(N)=N\c1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C9H11N3O.ClH/c1-6(10)12-8-4-2-7(3-5-8)9(11)13;/h2-5H,1H3,(H2,10,12)(H2,11,13);1H
InChIKeyKUCOYPTUHNVOEJ-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.22
Rot. Bonds2

About 4-(1-aminoethylideneamino)benzamide;hydrochloride

4-(1-aminoethylideneamino)benzamide;hydrochloride (PubChem CID 45264763) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 4-(1-aminoethylideneamino)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(1-aminoethylideneamino)benzamide;hydrochloride
PubChem CID45264763
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name4-(1-aminoethylideneamino)benzamide;hydrochloride
SMILESC/C(N)=N\c1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C9H11N3O.ClH/c1-6(10)12-8-4-2-7(3-5-8)9(11)13;/h2-5H,1H3,(H2,10,12)(H2,11,13);1H
InChIKeyKUCOYPTUHNVOEJ-UHFFFAOYSA-N
XLogP1.22
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

p-Aminopropiophenone
CID 6270
4-Aminobenzamide
CID 76079
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1-Butanone, 1-(4-aminophenyl)-
CID 15527
4-(3,3-Dimethyl-1-triazen-1-yl)benzamide
CID 93163
4-Amino-N-methylbenzamide
CID 235516
4-Amino-N,N-dimethylbenzamide
CID 235527
4'-Aminoacetophenone Hydrochloride
CID 23333831
1-(4-(2-Oxo-2-phenylethyl)phenyl)guanidine
CID 16758228
2-[4-[4-(Diaminomethylideneamino)benzoyl]phenyl]guanidine
CID 44313718
4-(1-aminoethylideneamino)-N-(4-fluorophenyl)benzamide;hydrobromide
CID 156009503
4-(3-Ethyl-3-methyl-1-triazenyl)benzamide
CID 321880

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethylideneamino)benzamide;hydrochloride?
The IUPAC name of 4-(1-aminoethylideneamino)benzamide;hydrochloride (CID 45264763) is 4-(1-aminoethylideneamino)benzamide;hydrochloride.
What is the SMILES notation for 4-(1-aminoethylideneamino)benzamide;hydrochloride?
The canonical SMILES for 4-(1-aminoethylideneamino)benzamide;hydrochloride is C/C(N)=N\c1ccc(C(N)=O)cc1.Cl.
What is the InChIKey of 4-(1-aminoethylideneamino)benzamide;hydrochloride?
The InChIKey is KUCOYPTUHNVOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.ClH/c1-6(10)12-8-4-2-7(3-5-8)9(11)13;/h2-5H,1H3,(H2,10,12)(H2,11,13);1H.
What are the key properties of 4-(1-aminoethylideneamino)benzamide;hydrochloride?
4-(1-aminoethylideneamino)benzamide;hydrochloride has a molecular weight of 213.67 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethylideneamino)benzamide;hydrochloride is sourced from PubChem (CID 45264763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).