(2-nitrophenyl) N-phenylbenzenecarboximidate

C19H14N2O3 — CID 21233958

IUPAC(2-nitrophenyl) N-phenylbenzenecarboximidate
SMILESO=[N+]([O-])c1ccccc1O/C(=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14N2O3/c22-21(23)17-13-7-8-14-18(17)24-19(15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-14H/b20-19+
InChIKeyOTQIQDQWNPYQMT-FMQUCBEESA-N
MW318.33 g/mol
LogP4.75
Rot. Bonds4

About (2-nitrophenyl) N-phenylbenzenecarboximidate

(2-nitrophenyl) N-phenylbenzenecarboximidate (PubChem CID 21233958) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is (2-nitrophenyl) N-phenylbenzenecarboximidate.

Molecular Properties

Compound Name(2-nitrophenyl) N-phenylbenzenecarboximidate
PubChem CID21233958
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name(2-nitrophenyl) N-phenylbenzenecarboximidate
SMILESO=[N+]([O-])c1ccccc1O/C(=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14N2O3/c22-21(23)17-13-7-8-14-18(17)24-19(15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-14H/b20-19+
InChIKeyOTQIQDQWNPYQMT-FMQUCBEESA-N
XLogP4.75
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-(2-nitrophenyl)-N,1-diphenylethanimine
CID 141478999
N-methyl-1-(2-nitrophenoxy)-2-phenylprop-1-en-1-amine
CID 174248353
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
(2-nitrophenyl) 2,2-diphenylacetate
CID 3339760
(2-nitrophenyl) 3-nitrobenzoate
CID 3339758
2-nitro-N-phenylbenzenecarboximidoyl chloride
CID 13213133
(2-nitrophenyl) 3-chlorobenzoate
CID 836200
(2-nitrophenyl) (E)-3-phenylprop-2-enoate
CID 905313
(5-oxo-3,4-dihydropyrrol-2-yl) N-phenylbenzenecarboximidate
CID 10564534
CID 174580034
CID 174580034
(2-nitrophenoxy)-oxo-phenacyloxyphosphanium
CID 19102528
(2-nitrophenyl) 2-methoxy-2-phenylacetate
CID 10085432

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl) N-phenylbenzenecarboximidate?
The IUPAC name of (2-nitrophenyl) N-phenylbenzenecarboximidate (CID 21233958) is (2-nitrophenyl) N-phenylbenzenecarboximidate.
What is the SMILES notation for (2-nitrophenyl) N-phenylbenzenecarboximidate?
The canonical SMILES for (2-nitrophenyl) N-phenylbenzenecarboximidate is O=[N+]([O-])c1ccccc1O/C(=N/c1ccccc1)c1ccccc1.
What is the InChIKey of (2-nitrophenyl) N-phenylbenzenecarboximidate?
The InChIKey is OTQIQDQWNPYQMT-FMQUCBEESA-N. The full InChI is InChI=1S/C19H14N2O3/c22-21(23)17-13-7-8-14-18(17)24-19(15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-14H/b20-19+.
What are the key properties of (2-nitrophenyl) N-phenylbenzenecarboximidate?
(2-nitrophenyl) N-phenylbenzenecarboximidate has a molecular weight of 318.33 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl) N-phenylbenzenecarboximidate is sourced from PubChem (CID 21233958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).