sodium N-phenylbenzenecarboximidate

C13H10NNaO — CID 101478237

IUPACsodium N-phenylbenzenecarboximidate
SMILES[Na+].[O-]/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO.Na/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;/h1-10H,(H,14,15);/q;+1/p-1
InChIKeyVDEWZDKETSGOMW-UHFFFAOYSA-M
MW219.22 g/mol
LogP-0.87
Rot. Bonds2

About sodium N-phenylbenzenecarboximidate

sodium N-phenylbenzenecarboximidate (PubChem CID 101478237) has the molecular formula C13H10NNaO and a molecular weight of 219.22 g/mol. Its IUPAC name is sodium N-phenylbenzenecarboximidate.

Molecular Properties

Compound Namesodium N-phenylbenzenecarboximidate
PubChem CID101478237
Molecular FormulaC13H10NNaO
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Namesodium N-phenylbenzenecarboximidate
SMILES[Na+].[O-]/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO.Na/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;/h1-10H,(H,14,15);/q;+1/p-1
InChIKeyVDEWZDKETSGOMW-UHFFFAOYSA-M
XLogP-0.87
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
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

sodium N-hydroxybenzenecarboximidate
CID 141386787
cobalt(2+);4-[(2-oxido-1,2-diphenylethylidene)amino]phenolate;hydrate
CID 71747155
sodium 1-ethoxy-N-phenylmethanimidate
CID 23666386
(E)-1,2-diphenylethene-1,2-diolate
CID 14292352
methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577864
2-phenyl-2-phenyliminoethanamine
CID 118895747
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
ethane;methyl N-phenylbenzenecarboximidothioate
CID 90772274
disodium;diphenylmethanone
CID 19380838
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
(Z)-N-(3-methyloxadiazol-3-ium-5-yl)benzenecarboximidate
CID 46784481
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144

Frequently Asked Questions

What is the IUPAC name of sodium N-phenylbenzenecarboximidate?
The IUPAC name of sodium N-phenylbenzenecarboximidate (CID 101478237) is sodium N-phenylbenzenecarboximidate.
What is the SMILES notation for sodium N-phenylbenzenecarboximidate?
The canonical SMILES for sodium N-phenylbenzenecarboximidate is [Na+].[O-]/C(=N\c1ccccc1)c1ccccc1.
What is the InChIKey of sodium N-phenylbenzenecarboximidate?
The InChIKey is VDEWZDKETSGOMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO.Na/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;/h1-10H,(H,14,15);/q;+1/p-1.
What are the key properties of sodium N-phenylbenzenecarboximidate?
sodium N-phenylbenzenecarboximidate has a molecular weight of 219.22 g/mol, XLogP of -0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-phenylbenzenecarboximidate is sourced from PubChem (CID 101478237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).