N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide

C16H14FN3O5 — CID 9016564

IUPACN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C16H14FN3O5/c1-24-14-7-11(13(20(22)23)8-15(14)25-2)9-18-19-16(21)10-3-5-12(17)6-4-10/h3-9H,1-2H3,(H,19,21)/b18-9-
InChIKeyYQNNULFNHKEIMW-NVMNQCDNSA-N
MW347.30 g/mol
LogP2.52
Rot. Bonds6

About N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide

N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide (PubChem CID 9016564) has the molecular formula C16H14FN3O5 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide
PubChem CID9016564
Molecular FormulaC16H14FN3O5
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC NameN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C16H14FN3O5/c1-24-14-7-11(13(20(22)23)8-15(14)25-2)9-18-19-16(21)10-3-5-12(17)6-4-10/h3-9H,1-2H3,(H,19,21)/b18-9-
InChIKeyYQNNULFNHKEIMW-NVMNQCDNSA-N
XLogP2.52
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide (CID 9016564) is N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide is COc1cc(/C=N\NC(=O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide?
The InChIKey is YQNNULFNHKEIMW-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H14FN3O5/c1-24-14-7-11(13(20(22)23)8-15(14)25-2)9-18-19-16(21)10-3-5-12(17)6-4-10/h3-9H,1-2H3,(H,19,21)/b18-9-.
What are the key properties of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide?
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide has a molecular weight of 347.30 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 9016564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).