3-[(benzhydrylideneamino)-fluoroamino]benzonitrile

C20H14FN3 — CID 87593064

IUPAC3-[(benzhydrylideneamino)-fluoroamino]benzonitrile
SMILESN#Cc1cccc(N(F)N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H14FN3/c21-24(19-13-7-8-16(14-19)15-22)23-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H
InChIKeyXGZQVMMGHYOSHU-UHFFFAOYSA-N
MW315.35 g/mol
LogP4.70
Rot. Bonds4

About 3-[(benzhydrylideneamino)-fluoroamino]benzonitrile

3-[(benzhydrylideneamino)-fluoroamino]benzonitrile (PubChem CID 87593064) has the molecular formula C20H14FN3 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-[(benzhydrylideneamino)-fluoroamino]benzonitrile.

Molecular Properties

Compound Name3-[(benzhydrylideneamino)-fluoroamino]benzonitrile
PubChem CID87593064
Molecular FormulaC20H14FN3
Molecular Weight315.35 g/mol
Exact Mass315.12
IUPAC Name3-[(benzhydrylideneamino)-fluoroamino]benzonitrile
SMILESN#Cc1cccc(N(F)N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H14FN3/c21-24(19-13-7-8-16(14-19)15-22)23-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H
InChIKeyXGZQVMMGHYOSHU-UHFFFAOYSA-N
XLogP4.70
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(C-phenyl-N-trimethylsilyloxycarbonimidoyl)benzonitrile
CID 140887445
3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile
CID 139203949
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
N'-[(3-cyanophenyl)methyl]benzenecarboximidamide
CID 63175867
4,5-bis(benzhydrylideneamino)benzene-1,2-dicarbonitrile
CID 166638263
3-cyanobenzoic acid;silver
CID 88821173
3-[bis(trimethylsilyl)amino]benzonitrile
CID 66602819
3-[methyl(methylsulfanyl)amino]benzonitrile
CID 146320456
tris(N-(3-cyanophenyl)-N-hydroxyacetamide);hydrate
CID 71328508
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607

Frequently Asked Questions

What is the IUPAC name of 3-[(benzhydrylideneamino)-fluoroamino]benzonitrile?
The IUPAC name of 3-[(benzhydrylideneamino)-fluoroamino]benzonitrile (CID 87593064) is 3-[(benzhydrylideneamino)-fluoroamino]benzonitrile.
What is the SMILES notation for 3-[(benzhydrylideneamino)-fluoroamino]benzonitrile?
The canonical SMILES for 3-[(benzhydrylideneamino)-fluoroamino]benzonitrile is N#Cc1cccc(N(F)N=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[(benzhydrylideneamino)-fluoroamino]benzonitrile?
The InChIKey is XGZQVMMGHYOSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3/c21-24(19-13-7-8-16(14-19)15-22)23-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H.
What are the key properties of 3-[(benzhydrylideneamino)-fluoroamino]benzonitrile?
3-[(benzhydrylideneamino)-fluoroamino]benzonitrile has a molecular weight of 315.35 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(benzhydrylideneamino)-fluoroamino]benzonitrile is sourced from PubChem (CID 87593064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).