N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide

C15H11F2N3O3 — CID 9016019

IUPACN-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide
SMILESC/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F
InChIInChI=1S/C15H11F2N3O3/c1-9(13-8-11(16)5-6-14(13)17)18-19-15(21)10-3-2-4-12(7-10)20(22)23/h2-8H,1H3,(H,19,21)/b18-9-
InChIKeyQFIFBTPEQUYBCR-NVMNQCDNSA-N
MW319.27 g/mol
LogP3.03
Rot. Bonds4

About N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide

N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide (PubChem CID 9016019) has the molecular formula C15H11F2N3O3 and a molecular weight of 319.27 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide
PubChem CID9016019
Molecular FormulaC15H11F2N3O3
Molecular Weight319.27 g/mol
Exact Mass319.08
IUPAC NameN-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide
SMILESC/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F
InChIInChI=1S/C15H11F2N3O3/c1-9(13-8-11(16)5-6-14(13)17)18-19-15(21)10-3-2-4-12(7-10)20(22)23/h2-8H,1H3,(H,19,21)/b18-9-
InChIKeyQFIFBTPEQUYBCR-NVMNQCDNSA-N
XLogP3.03
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 53.03
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

N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-nitrobenzamide
CID 5448440
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769
N-[1-(4-tert-butylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3383793
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 6005779
2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide
CID 86621112
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
4-bromo-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 7350323

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide (CID 9016019) is N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide is C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F.
What is the InChIKey of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide?
The InChIKey is QFIFBTPEQUYBCR-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H11F2N3O3/c1-9(13-8-11(16)5-6-14(13)17)18-19-15(21)10-3-2-4-12(7-10)20(22)23/h2-8H,1H3,(H,19,21)/b18-9-.
What are the key properties of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide?
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide has a molecular weight of 319.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 9016019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).