N'-isocyano-N-phenylbenzenecarboximidamide

C14H11N3 — CID 18723551

IUPACN'-isocyano-N-phenylbenzenecarboximidamide
SMILES[C-]#[N+]/N=C(\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H11N3/c1-15-17-14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,(H,16,17)
InChIKeyGSSBDLBDKRFYLB-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.38
Rot. Bonds2

About N'-isocyano-N-phenylbenzenecarboximidamide

N'-isocyano-N-phenylbenzenecarboximidamide (PubChem CID 18723551) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N'-isocyano-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-isocyano-N-phenylbenzenecarboximidamide
PubChem CID18723551
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC NameN'-isocyano-N-phenylbenzenecarboximidamide
SMILES[C-]#[N+]/N=C(\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H11N3/c1-15-17-14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,(H,16,17)
InChIKeyGSSBDLBDKRFYLB-UHFFFAOYSA-N
XLogP3.38
TPSA28.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[anilino(phenyl)methylidene]-3-phenylthiourea
CID 2853502
N-phenyl-N'-sulfamoylbenzenecarboximidamide
CID 18723552
N'-[2-[bis[2-[[anilino(phenyl)methylidene]amino]ethyl]amino]ethyl]-N-phenylbenzenecarboximidamide
CID 102109940
N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide
CID 139156190
N-(4-isocyanophenyl)benzamide
CID 58674132
1-(C,N-diphenylcarbonimidoyl)-3-phenylurea
CID 135454305
ethane;N-(4-isocyanophenyl)benzamide
CID 91305596
N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
CID 3332745
N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide
CID 177448531
N'-chloro-N-phenyl-1,2-thiazole-4-carboximidamide
CID 163644619
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
molecular hydrogen;N-phenylbenzamide
CID 145238042

Frequently Asked Questions

What is the IUPAC name of N'-isocyano-N-phenylbenzenecarboximidamide?
The IUPAC name of N'-isocyano-N-phenylbenzenecarboximidamide (CID 18723551) is N'-isocyano-N-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-isocyano-N-phenylbenzenecarboximidamide?
The canonical SMILES for N'-isocyano-N-phenylbenzenecarboximidamide is [C-]#[N+]/N=C(\Nc1ccccc1)c1ccccc1.
What is the InChIKey of N'-isocyano-N-phenylbenzenecarboximidamide?
The InChIKey is GSSBDLBDKRFYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-15-17-14(12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,(H,16,17).
What are the key properties of N'-isocyano-N-phenylbenzenecarboximidamide?
N'-isocyano-N-phenylbenzenecarboximidamide has a molecular weight of 221.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-isocyano-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 18723551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).