N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide

C20H17FN4 — CID 129205464

IUPACN'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1ccccc1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C20H17FN4/c21-18-13-7-6-12-17(18)20(23)25-24-19(22)16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-13H,(H2,22,24)(H2,23,25)
InChIKeyVPHZSHWLLIPWQE-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.52
Rot. Bonds4

About N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide

N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide (PubChem CID 129205464) has the molecular formula C20H17FN4 and a molecular weight of 332.38 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide
PubChem CID129205464
Molecular FormulaC20H17FN4
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC NameN'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1ccccc1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C20H17FN4/c21-18-13-7-6-12-17(18)20(23)25-24-19(22)16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-13H,(H2,22,24)(H2,23,25)
InChIKeyVPHZSHWLLIPWQE-UHFFFAOYSA-N
XLogP3.52
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide
CID 118916827
[amino-(2-phenylphenyl)methylidene]azanium
CID 6346948
2-(4-methylphenyl)-N'-phenylbenzenecarboximidamide
CID 152558891
1-fluoro-2-[2-(2-phenylphenyl)phenyl]benzene
CID 141475621
N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide
CID 18771509
2-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67160180
N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide
CID 54093932
2-(2-fluoro-6-phenylphenyl)-1,1,3,3-tetramethylguanidine
CID 139674758
(E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine
CID 58611159
dichloromethane;1-fluoro-2-phenylbenzene
CID 174471910
2-fluorobenzamide;dihydrochloride
CID 22563899
N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide
CID 145320923

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide (CID 129205464) is N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide is N/C(=N\N=C(/N)c1ccccc1-c1ccccc1)c1ccccc1F.
What is the InChIKey of N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide?
The InChIKey is VPHZSHWLLIPWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c21-18-13-7-6-12-17(18)20(23)25-24-19(22)16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-13H,(H2,22,24)(H2,23,25).
What are the key properties of N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide?
N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide has a molecular weight of 332.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-phenylbenzenecarboximidamide is sourced from PubChem (CID 129205464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).