2-(4-benzoylphenyl)guanidine;hydrochloride

C14H14ClN3O — CID 24799981

IUPAC2-(4-benzoylphenyl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13N3O.ClH/c15-14(16)17-12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10;/h1-9H,(H4,15,16,17);1H
InChIKeyXVZJNTUJAZGWRG-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.24
Rot. Bonds3

About 2-(4-benzoylphenyl)guanidine;hydrochloride

2-(4-benzoylphenyl)guanidine;hydrochloride (PubChem CID 24799981) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(4-benzoylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(4-benzoylphenyl)guanidine;hydrochloride
PubChem CID24799981
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-(4-benzoylphenyl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13N3O.ClH/c15-14(16)17-12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10;/h1-9H,(H4,15,16,17);1H
InChIKeyXVZJNTUJAZGWRG-UHFFFAOYSA-N
XLogP2.24
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.24
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
p-Aminoacetophenone
CID 7468
4-Aminobenzophenone
CID 14346
1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
CID 577464
Shellfish, unspecified
CID 584435
Methanone, (3-aminophenyl)phenyl-
CID 17817
1-Butanone, 1-(4-aminophenyl)-
CID 15527
Benzenepropanenitrile, 4-amino-beta-oxo-
CID 96920
4,4'-Diaminobenzophenone
CID 69149
1-(4-Isothiocyanatophenyl)ethan-1-one
CID 242779
1-{4-[(4-Aminophenyl)diazenyl]phenyl}ethanone
CID 4425951
2-[7-(Diaminomethylideneamino)-9,10-dioxoanthracen-2-yl]guanidine
CID 11257943

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenyl)guanidine;hydrochloride?
The IUPAC name of 2-(4-benzoylphenyl)guanidine;hydrochloride (CID 24799981) is 2-(4-benzoylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(4-benzoylphenyl)guanidine;hydrochloride?
The canonical SMILES for 2-(4-benzoylphenyl)guanidine;hydrochloride is Cl.NC(N)=Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenyl)guanidine;hydrochloride?
The InChIKey is XVZJNTUJAZGWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O.ClH/c15-14(16)17-12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10;/h1-9H,(H4,15,16,17);1H.
What are the key properties of 2-(4-benzoylphenyl)guanidine;hydrochloride?
2-(4-benzoylphenyl)guanidine;hydrochloride has a molecular weight of 275.74 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenyl)guanidine;hydrochloride is sourced from PubChem (CID 24799981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).