N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine

C16H11FN2O2 — CID 80753070

IUPACN-(3-fluoro-5-nitrophenyl)naphthalen-1-amine
SMILESO=[N+]([O-])c1cc(F)cc(Nc2cccc3ccccc23)c1
InChIInChI=1S/C16H11FN2O2/c17-12-8-13(10-14(9-12)19(20)21)18-16-7-3-5-11-4-1-2-6-15(11)16/h1-10,18H
InChIKeyGPMCMNWUEMOICN-UHFFFAOYSA-N
MW282.27 g/mol
LogP4.63
Rot. Bonds3

About N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine

N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine (PubChem CID 80753070) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)naphthalen-1-amine
PubChem CID80753070
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC NameN-(3-fluoro-5-nitrophenyl)naphthalen-1-amine
SMILESO=[N+]([O-])c1cc(F)cc(Nc2cccc3ccccc23)c1
InChIInChI=1S/C16H11FN2O2/c17-12-8-13(10-14(9-12)19(20)21)18-16-7-3-5-11-4-1-2-6-15(11)16/h1-10,18H
InChIKeyGPMCMNWUEMOICN-UHFFFAOYSA-N
XLogP4.63
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 54.63
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

3-N-naphthalen-1-yl-5-nitrobenzene-1,3-diamine
CID 80768929
3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 80752174
3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline
CID 80752800
3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
CID 80752071
3-fluoro-5-nitro-N-(2-phenylethyl)aniline
CID 60877252
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330
5-bromo-N-(3-fluoro-5-nitrophenyl)-2-methylaniline
CID 80752415
N-(3-fluoro-5-nitrophenyl)quinolin-6-amine
CID 80751767
N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
CID 107368860
N-[(2,6-dichlorophenyl)methyl]-3-fluoro-5-nitroaniline
CID 107334655
2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107645553
3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107576838

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine (CID 80753070) is N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine is O=[N+]([O-])c1cc(F)cc(Nc2cccc3ccccc23)c1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine?
The InChIKey is GPMCMNWUEMOICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-12-8-13(10-14(9-12)19(20)21)18-16-7-3-5-11-4-1-2-6-15(11)16/h1-10,18H.
What are the key properties of N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine?
N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine has a molecular weight of 282.27 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine is sourced from PubChem (CID 80753070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).