[4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate

C20H14FN3O4 — CID 3560230

IUPAC[4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
SMILESO=C(Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O4/c21-16-5-3-15(4-6-16)20(25)28-19-11-1-14(2-12-19)13-22-23-17-7-9-18(10-8-17)24(26)27/h1-13,23H
InChIKeyUSSVMBKPWHDGCN-UHFFFAOYSA-N
MW379.35 g/mol
LogP4.40
Rot. Bonds6

About [4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate

[4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate (PubChem CID 3560230) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is [4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
PubChem CID3560230
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC Name[4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
SMILESO=C(Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O4/c21-16-5-3-15(4-6-16)20(25)28-19-11-1-14(2-12-19)13-22-23-17-7-9-18(10-8-17)24(26)27/h1-13,23H
InChIKeyUSSVMBKPWHDGCN-UHFFFAOYSA-N
XLogP4.40
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110341095
[4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110509030
methyl 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 74861828
[4-(hydroxyiminomethyl)phenyl] 4-nitrobenzoate
CID 23822226
[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate
CID 6241136
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline
CID 67519187
[4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 126077216
[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 94844462
[4-[(E)-[[2-(3,5-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 19661644
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9076234

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate?
The IUPAC name of [4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate (CID 3560230) is [4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate.
What is the SMILES notation for [4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate?
The canonical SMILES for [4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate is O=C(Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1.
What is the InChIKey of [4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate?
The InChIKey is USSVMBKPWHDGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c21-16-5-3-15(4-6-16)20(25)28-19-11-1-14(2-12-19)13-22-23-17-7-9-18(10-8-17)24(26)27/h1-13,23H.
What are the key properties of [4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate?
[4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate has a molecular weight of 379.35 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate is sourced from PubChem (CID 3560230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).