N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine

C20H13FN2 — CID 59643960

IUPACN-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine
SMILES[C-]#[N+]c1cccc(-c2ccc(/C=N/c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H13FN2/c1-22-20-4-2-3-17(13-20)16-7-5-15(6-8-16)14-23-19-11-9-18(21)10-12-19/h2-14H/b23-14+
InChIKeyGZCXNISNALXHKS-OEAKJJBVSA-N
MW300.34 g/mol
LogP5.79
Rot. Bonds3

About N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine

N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine (PubChem CID 59643960) has the molecular formula C20H13FN2 and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine
PubChem CID59643960
Molecular FormulaC20H13FN2
Molecular Weight300.34 g/mol
Exact Mass300.11
IUPAC NameN-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine
SMILES[C-]#[N+]c1cccc(-c2ccc(/C=N/c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H13FN2/c1-22-20-4-2-3-17(13-20)16-7-5-15(6-8-16)14-23-19-11-9-18(21)10-12-19/h2-14H/b23-14+
InChIKeyGZCXNISNALXHKS-OEAKJJBVSA-N
XLogP5.79
TPSA16.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.34
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluorophenyl)methylideneamino]benzenethiol
CID 15543881
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine
CID 554998
1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine
CID 4028302
1-(3-bromophenyl)-N-(4-fluorophenyl)methanimine
CID 139243964
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
3-[(4-fluorophenyl)methylideneamino]benzonitrile
CID 932015
8-[4-(3-isocyanophenyl)phenyl]fluoranthene
CID 89027011
N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine
CID 146322916
4-[(3-phenylphenyl)methylideneamino]phenol
CID 4862070

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine?
The IUPAC name of N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine (CID 59643960) is N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine is [C-]#[N+]c1cccc(-c2ccc(/C=N/c3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine?
The InChIKey is GZCXNISNALXHKS-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H13FN2/c1-22-20-4-2-3-17(13-20)16-7-5-15(6-8-16)14-23-19-11-9-18(21)10-12-19/h2-14H/b23-14+.
What are the key properties of N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine?
N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine has a molecular weight of 300.34 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine is sourced from PubChem (CID 59643960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).