N-naphthalen-2-yl-N-phenylnitramide

C16H12N2O2 — CID 135221117

IUPACN-naphthalen-2-yl-N-phenylnitramide
SMILESO=[N+]([O-])N(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H12N2O2/c19-18(20)17(15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H
InChIKeyQSLLYLLIPOSASI-UHFFFAOYSA-N
MW264.28 g/mol
LogP4.17
Rot. Bonds3

About N-naphthalen-2-yl-N-phenylnitramide

N-naphthalen-2-yl-N-phenylnitramide (PubChem CID 135221117) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenylnitramide.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenylnitramide
PubChem CID135221117
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC NameN-naphthalen-2-yl-N-phenylnitramide
SMILESO=[N+]([O-])N(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H12N2O2/c19-18(20)17(15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H
InChIKeyQSLLYLLIPOSASI-UHFFFAOYSA-N
XLogP4.17
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
2-[(N-naphthalen-2-ylanilino)methyl]-4-nitrophenol
CID 4598478
N-methyl-N-oxidonaphthalen-2-amine
CID 163543073
2-chloro-1-naphthalen-2-yl-1-phenylhydrazine
CID 90345926
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
2-N,5-N-dinaphthalen-2-yl-2-N,5-N-diphenylfuran-2,5-diamine
CID 139844355
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
naphthalen-2-yl nitrate
CID 13161391
2-(N-naphthalen-2-ylanilino)-4-[naphthalen-2-yl(phenyl)azaniumylidene]-3-oxocyclobuten-1-olate
CID 102599851
bis[4,6-bis(N-naphthalen-2-ylanilino)-1,3,5-triazin-2-yl]methanone
CID 58299107

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenylnitramide?
The IUPAC name of N-naphthalen-2-yl-N-phenylnitramide (CID 135221117) is N-naphthalen-2-yl-N-phenylnitramide.
What is the SMILES notation for N-naphthalen-2-yl-N-phenylnitramide?
The canonical SMILES for N-naphthalen-2-yl-N-phenylnitramide is O=[N+]([O-])N(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-N-phenylnitramide?
The InChIKey is QSLLYLLIPOSASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-18(20)17(15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H.
What are the key properties of N-naphthalen-2-yl-N-phenylnitramide?
N-naphthalen-2-yl-N-phenylnitramide has a molecular weight of 264.28 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenylnitramide is sourced from PubChem (CID 135221117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).