3-fluoro-5-nitro-N,4-diphenylaniline

C18H13FN2O2 — CID 156538727

IUPAC3-fluoro-5-nitro-N,4-diphenylaniline
SMILESO=[N+]([O-])c1cc(Nc2ccccc2)cc(F)c1-c1ccccc1
InChIInChI=1S/C18H13FN2O2/c19-16-11-15(20-14-9-5-2-6-10-14)12-17(21(22)23)18(16)13-7-3-1-4-8-13/h1-12,20H
InChIKeyGLFNJXYPTVCTHV-UHFFFAOYSA-N
MW308.31 g/mol
LogP5.14
Rot. Bonds4

About 3-fluoro-5-nitro-N,4-diphenylaniline

3-fluoro-5-nitro-N,4-diphenylaniline (PubChem CID 156538727) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-fluoro-5-nitro-N,4-diphenylaniline.

Molecular Properties

Compound Name3-fluoro-5-nitro-N,4-diphenylaniline
PubChem CID156538727
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name3-fluoro-5-nitro-N,4-diphenylaniline
SMILESO=[N+]([O-])c1cc(Nc2ccccc2)cc(F)c1-c1ccccc1
InChIInChI=1S/C18H13FN2O2/c19-16-11-15(20-14-9-5-2-6-10-14)12-17(21(22)23)18(16)13-7-3-1-4-8-13/h1-12,20H
InChIKeyGLFNJXYPTVCTHV-UHFFFAOYSA-N
XLogP5.14
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.31
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline
CID 143060533
2-nitro-4-N-phenylbenzene-1,4-diamine
CID 20831862
5-(3-methylphenyl)-2-nitro-N-phenylaniline
CID 122581103
3,4-difluoro-N-(2-nitrophenyl)aniline
CID 59560768
3-hydrazinyl-5-nitro-2,4-diphenylaniline
CID 18954135
4,5-dichloro-2-nitro-N-phenylaniline
CID 12930158
N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 162644708
5-chloro-2,4-dinitro-N-phenylaniline
CID 22749530
N-(4-fluoro-3-nitrophenyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4282313
2-fluoro-4-(4-methyl-3-nitroanilino)benzoic acid
CID 107793349
N-(4-fluoro-3-nitrophenyl)benzenesulfonamide
CID 4599069
3-fluoro-4-methyl-N-(2-nitrophenyl)aniline
CID 7779028

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-nitro-N,4-diphenylaniline?
The IUPAC name of 3-fluoro-5-nitro-N,4-diphenylaniline (CID 156538727) is 3-fluoro-5-nitro-N,4-diphenylaniline.
What is the SMILES notation for 3-fluoro-5-nitro-N,4-diphenylaniline?
The canonical SMILES for 3-fluoro-5-nitro-N,4-diphenylaniline is O=[N+]([O-])c1cc(Nc2ccccc2)cc(F)c1-c1ccccc1.
What is the InChIKey of 3-fluoro-5-nitro-N,4-diphenylaniline?
The InChIKey is GLFNJXYPTVCTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-16-11-15(20-14-9-5-2-6-10-14)12-17(21(22)23)18(16)13-7-3-1-4-8-13/h1-12,20H.
What are the key properties of 3-fluoro-5-nitro-N,4-diphenylaniline?
3-fluoro-5-nitro-N,4-diphenylaniline has a molecular weight of 308.31 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-nitro-N,4-diphenylaniline is sourced from PubChem (CID 156538727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).