N-[amino(phenyl)methylidene]-4-cyanobenzamide

C15H11N3O — CID 100992622

IUPACN-[amino(phenyl)methylidene]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)/N=C(\N)c2ccccc2)cc1
InChIInChI=1S/C15H11N3O/c16-10-11-6-8-13(9-7-11)15(19)18-14(17)12-4-2-1-3-5-12/h1-9H,(H2,17,18,19)
InChIKeyFPIZWEVMGMFLEA-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.10
Rot. Bonds2

About N-[amino(phenyl)methylidene]-4-cyanobenzamide

N-[amino(phenyl)methylidene]-4-cyanobenzamide (PubChem CID 100992622) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-4-cyanobenzamide
PubChem CID100992622
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC NameN-[amino(phenyl)methylidene]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)/N=C(\N)c2ccccc2)cc1
InChIInChI=1S/C15H11N3O/c16-10-11-6-8-13(9-7-11)15(19)18-14(17)12-4-2-1-3-5-12/h1-9H,(H2,17,18,19)
InChIKeyFPIZWEVMGMFLEA-UHFFFAOYSA-N
XLogP2.10
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

N-(1-aminoethylidene)-4-cyanobenzamide
CID 130019001
N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
CID 2479295
4-(2-phenylprop-2-enoyl)benzonitrile
CID 66619390
4-(1-phenylethenyl)benzonitrile
CID 11977035
4-cyanobenzoyl isothiocyanate
CID 22908117
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile
CID 67912656
4-[4-(4-cyanophenyl)phenyl]benzoic acid
CID 102170624
N'-hydroxybenzenecarboximidamide
CID 142861747
carbamoyl 4-cyanobenzoate
CID 174813888
2-(4-cyanophenyl)-2-hydroxy-2-phenylacetamide
CID 139613574
4-cyanobenzoyl bromide
CID 22321969

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-4-cyanobenzamide?
The IUPAC name of N-[amino(phenyl)methylidene]-4-cyanobenzamide (CID 100992622) is N-[amino(phenyl)methylidene]-4-cyanobenzamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-4-cyanobenzamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-4-cyanobenzamide is N#Cc1ccc(C(=O)/N=C(\N)c2ccccc2)cc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-4-cyanobenzamide?
The InChIKey is FPIZWEVMGMFLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-10-11-6-8-13(9-7-11)15(19)18-14(17)12-4-2-1-3-5-12/h1-9H,(H2,17,18,19).
What are the key properties of N-[amino(phenyl)methylidene]-4-cyanobenzamide?
N-[amino(phenyl)methylidene]-4-cyanobenzamide has a molecular weight of 249.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-4-cyanobenzamide is sourced from PubChem (CID 100992622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).