N-[amino(phenyl)methylidene]benzamide

C14H12N2O — CID 3846616

IUPACN-[amino(phenyl)methylidene]benzamide
SMILESN/C(=N\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2O/c15-13(11-7-3-1-4-8-11)16-14(17)12-9-5-2-6-10-12/h1-10H,(H2,15,16,17)
InChIKeyJCTSRBNDLYWLGY-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.23
Rot. Bonds2

About N-[amino(phenyl)methylidene]benzamide

N-[amino(phenyl)methylidene]benzamide (PubChem CID 3846616) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]benzamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]benzamide
PubChem CID3846616
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC NameN-[amino(phenyl)methylidene]benzamide
SMILESN/C(=N\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2O/c15-13(11-7-3-1-4-8-11)16-14(17)12-9-5-2-6-10-12/h1-10H,(H2,15,16,17)
InChIKeyJCTSRBNDLYWLGY-UHFFFAOYSA-N
XLogP2.23
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1H-Isoindol-1-one, 3-amino-
CID 84381
N-(Aminoiminomethyl)benzamide
CID 76630
4-[3-[1-(4-Carbamimidoyl-phenyl)-meth-(Z)-ylidene]-2-oxo-cyclohept-(Z)-ylidenemethyl]-benzamide
CID 9864323
4-Amidinobenzamide Hydrochloride
CID 2724293
4-[(Z)-[(3E)-3-[(4-carbamimidoylphenyl)methylidene]-2-oxocycloheptylidene]methyl]benzamide
CID 10690751
2-(Carbamoyl)phenyl diselenide
CID 14119495
4-Amidinobenzamide
CID 596019
4-[(E)-[(3E)-3-[(4-carbamimidoylphenyl)methylidene]-2-oxocycloheptylidene]methyl]benzamide
CID 10738109
N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide
CID 3339968
methyl N,N'-dibenzoylcarbamimidoselenoate
CID 44443213
3-Carbamimidoylbenzamide
CID 18327622
N-benzoylguanidine hydrochloride
CID 45050329

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]benzamide?
The IUPAC name of N-[amino(phenyl)methylidene]benzamide (CID 3846616) is N-[amino(phenyl)methylidene]benzamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]benzamide?
The canonical SMILES for N-[amino(phenyl)methylidene]benzamide is N/C(=N\C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[amino(phenyl)methylidene]benzamide?
The InChIKey is JCTSRBNDLYWLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-13(11-7-3-1-4-8-11)16-14(17)12-9-5-2-6-10-12/h1-10H,(H2,15,16,17).
What are the key properties of N-[amino(phenyl)methylidene]benzamide?
N-[amino(phenyl)methylidene]benzamide has a molecular weight of 224.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]benzamide is sourced from PubChem (CID 3846616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).