2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine

C14H13FN4 — CID 5474390

IUPAC2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine
SMILESNC(N)=N/N=C(/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN4/c15-12-8-6-11(7-9-12)13(18-19-14(16)17)10-4-2-1-3-5-10/h1-9H,(H4,16,17,19)/b18-13-
InChIKeyJUWZFJBPSYJZPX-AQTBWJFISA-N
MW256.28 g/mol
LogP1.85
Rot. Bonds3

About 2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine

2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine (PubChem CID 5474390) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine
PubChem CID5474390
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine
SMILESNC(N)=N/N=C(/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN4/c15-12-8-6-11(7-9-12)13(18-19-14(16)17)10-4-2-1-3-5-10/h1-9H,(H4,16,17,19)/b18-13-
InChIKeyJUWZFJBPSYJZPX-AQTBWJFISA-N
XLogP1.85
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.85
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

4-[(Z)-N-[(Z)-[(4-aminophenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]aniline
CID 6871279
N'-(benzhydrylideneamino)ethanimidamide
CID 11128320
N-[(4-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine
CID 4618251
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
1-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-phenylcarbonimidoyl]phenyl]urea
CID 123506865
1-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-[4-[N-(diaminomethylideneamino)-C-phenylcarbonimidoyl]phenyl]urea
CID 74390808
2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135460269
2-[(E)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135407116
(4-fluorophenyl)-phenylmethanone
CID 161464622
2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
CID 5360955
2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 54609840
dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine
CID 126960446

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine (CID 5474390) is 2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine is NC(N)=N/N=C(/c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine?
The InChIKey is JUWZFJBPSYJZPX-AQTBWJFISA-N. The full InChI is InChI=1S/C14H13FN4/c15-12-8-6-11(7-9-12)13(18-19-14(16)17)10-4-2-1-3-5-10/h1-9H,(H4,16,17,19)/b18-13-.
What are the key properties of 2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine?
2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine has a molecular weight of 256.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine is sourced from PubChem (CID 5474390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).