2-(2-nitrophenyl)-N,1-diphenylethanimine

C20H16N2O2 — CID 141478999

IUPAC2-(2-nitrophenyl)-N,1-diphenylethanimine
SMILESO=[N+]([O-])c1ccccc1C/C(=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16N2O2/c23-22(24)20-14-8-7-11-17(20)15-19(16-9-3-1-4-10-16)21-18-12-5-2-6-13-18/h1-14H,15H2/b21-19-
InChIKeyMYVPNMKWTOBZPI-VZCXRCSSSA-N
MW316.36 g/mol
LogP4.96
Rot. Bonds5

About 2-(2-nitrophenyl)-N,1-diphenylethanimine

2-(2-nitrophenyl)-N,1-diphenylethanimine (PubChem CID 141478999) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N,1-diphenylethanimine.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N,1-diphenylethanimine
PubChem CID141478999
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-(2-nitrophenyl)-N,1-diphenylethanimine
SMILESO=[N+]([O-])c1ccccc1C/C(=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16N2O2/c23-22(24)20-14-8-7-11-17(20)15-19(16-9-3-1-4-10-16)21-18-12-5-2-6-13-18/h1-14H,15H2/b21-19-
InChIKeyMYVPNMKWTOBZPI-VZCXRCSSSA-N
XLogP4.96
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine
CID 19784525
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
(2-nitrophenyl) N-phenylbenzenecarboximidate
CID 21233958
(2-nitrophenyl)methanol
CID 11923
(2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid
CID 6400570
2-nitro-N-phenylbenzenecarboximidoyl chloride
CID 13213133
methanol;(2-nitrophenyl)methanol
CID 70046885
1-nitro-2-(2,2,2-tribromoethyl)benzene
CID 142647889
(2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate
CID 174983557
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
1-[(2-nitrophenyl)methyl]pyridin-1-ium
CID 780786

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N,1-diphenylethanimine?
The IUPAC name of 2-(2-nitrophenyl)-N,1-diphenylethanimine (CID 141478999) is 2-(2-nitrophenyl)-N,1-diphenylethanimine.
What is the SMILES notation for 2-(2-nitrophenyl)-N,1-diphenylethanimine?
The canonical SMILES for 2-(2-nitrophenyl)-N,1-diphenylethanimine is O=[N+]([O-])c1ccccc1C/C(=N/c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-nitrophenyl)-N,1-diphenylethanimine?
The InChIKey is MYVPNMKWTOBZPI-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-22(24)20-14-8-7-11-17(20)15-19(16-9-3-1-4-10-16)21-18-12-5-2-6-13-18/h1-14H,15H2/b21-19-.
What are the key properties of 2-(2-nitrophenyl)-N,1-diphenylethanimine?
2-(2-nitrophenyl)-N,1-diphenylethanimine has a molecular weight of 316.36 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N,1-diphenylethanimine is sourced from PubChem (CID 141478999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).