N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide

C15H11F2N3O4 — CID 3325601

IUPACN-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1
InChIInChI=1S/C15H11F2N3O4/c16-15(17)24-13-7-6-12(20(22)23)8-11(13)9-18-19-14(21)10-4-2-1-3-5-10/h1-9,15H,(H,19,21)
InChIKeyLPPSLGMFJIIUNO-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.96
Rot. Bonds6

About N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide

N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide (PubChem CID 3325601) has the molecular formula C15H11F2N3O4 and a molecular weight of 335.27 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide
PubChem CID3325601
Molecular FormulaC15H11F2N3O4
Molecular Weight335.27 g/mol
Exact Mass335.07
IUPAC NameN-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1
InChIInChI=1S/C15H11F2N3O4/c16-15(17)24-13-7-6-12(20(22)23)8-11(13)9-18-19-14(21)10-4-2-1-3-5-10/h1-9,15H,(H,19,21)
InChIKeyLPPSLGMFJIIUNO-UHFFFAOYSA-N
XLogP2.96
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[2-[(E)-(benzoylhydrazinylidene)methyl]-4-nitrophenyl] 4-bromobenzoate
CID 126228047
[2-[(E)-(benzoylhydrazinylidene)methyl]-4-nitrophenyl] 3-methoxybenzoate
CID 126230398
3-nitro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 6305635
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 2691883
4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 5390798
[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate
CID 126233873
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
CID 9016544
[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] (E)-3-phenylprop-2-enoate
CID 126233950
N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 2824719
[2-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-nitrobenzoate
CID 126229343
N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide
CID 135554639
bis[4-bromo-2-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzene-1,2-dicarboxylate
CID 6522591

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide?
The IUPAC name of N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide (CID 3325601) is N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1.
What is the InChIKey of N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide?
The InChIKey is LPPSLGMFJIIUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O4/c16-15(17)24-13-7-6-12(20(22)23)8-11(13)9-18-19-14(21)10-4-2-1-3-5-10/h1-9,15H,(H,19,21).
What are the key properties of N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide?
N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide has a molecular weight of 335.27 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide is sourced from PubChem (CID 3325601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).