2-[(2-nitrophenyl)methylideneamino]benzamide

C14H11N3O3 — CID 794642

IUPAC2-[(2-nitrophenyl)methylideneamino]benzamide
SMILESNC(=O)c1ccccc1/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11N3O3/c15-14(18)11-6-2-3-7-12(11)16-9-10-5-1-4-8-13(10)17(19)20/h1-9H,(H2,15,18)/b16-9+
InChIKeyCYMHJSBOWZRCGT-CXUHLZMHSA-N
MW269.26 g/mol
LogP2.44
Rot. Bonds4

About 2-[(2-nitrophenyl)methylideneamino]benzamide

2-[(2-nitrophenyl)methylideneamino]benzamide (PubChem CID 794642) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(2-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2-nitrophenyl)methylideneamino]benzamide
PubChem CID794642
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-[(2-nitrophenyl)methylideneamino]benzamide
SMILESNC(=O)c1ccccc1/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11N3O3/c15-14(18)11-6-2-3-7-12(11)16-9-10-5-1-4-8-13(10)17(19)20/h1-9H,(H2,15,18)/b16-9+
InChIKeyCYMHJSBOWZRCGT-CXUHLZMHSA-N
XLogP2.44
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methyl 2-[(2-nitrophenyl)methylideneamino]benzoate
CID 11055192
2-[(4-nitrophenyl)methylideneamino]benzamide
CID 910209
3-amino-4-[(2-nitrophenyl)methylideneamino]benzoic acid
CID 10493360
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
2-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 969228
2-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 18772896
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
5-[(E)-(2-nitrophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine
CID 117059661
N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
CID 794265
2-[(4-fluorophenyl)methylideneamino]benzamide
CID 932011

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(2-nitrophenyl)methylideneamino]benzamide (CID 794642) is 2-[(2-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(2-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(2-nitrophenyl)methylideneamino]benzamide is NC(=O)c1ccccc1/N=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-nitrophenyl)methylideneamino]benzamide?
The InChIKey is CYMHJSBOWZRCGT-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11N3O3/c15-14(18)11-6-2-3-7-12(11)16-9-10-5-1-4-8-13(10)17(19)20/h1-9H,(H2,15,18)/b16-9+.
What are the key properties of 2-[(2-nitrophenyl)methylideneamino]benzamide?
2-[(2-nitrophenyl)methylideneamino]benzamide has a molecular weight of 269.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 794642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).