N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline

C15H12FN7O2 — CID 6004454

IUPACN-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C\Cc2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN7O2/c16-11-1-5-13(6-2-11)22-15(19-20-21-22)9-10-17-18-12-3-7-14(8-4-12)23(24)25/h1-8,10,18H,9H2/b17-10-
InChIKeyYKPDVNZGAREXOQ-YVLHZVERSA-N
MW341.31 g/mol
LogP2.35
Rot. Bonds6

About N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline

N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline (PubChem CID 6004454) has the molecular formula C15H12FN7O2 and a molecular weight of 341.31 g/mol. Its IUPAC name is N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline
PubChem CID6004454
Molecular FormulaC15H12FN7O2
Molecular Weight341.31 g/mol
Exact Mass341.10
IUPAC NameN-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C\Cc2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN7O2/c16-11-1-5-13(6-2-11)22-15(19-20-21-22)9-10-17-18-12-3-7-14(8-4-12)23(24)25/h1-8,10,18H,9H2/b17-10-
InChIKeyYKPDVNZGAREXOQ-YVLHZVERSA-N
XLogP2.35
TPSA111.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline?
The IUPAC name of N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline (CID 6004454) is N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline?
The canonical SMILES for N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline is O=[N+]([O-])c1ccc(N/N=C\Cc2nnnn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline?
The InChIKey is YKPDVNZGAREXOQ-YVLHZVERSA-N. The full InChI is InChI=1S/C15H12FN7O2/c16-11-1-5-13(6-2-11)22-15(19-20-21-22)9-10-17-18-12-3-7-14(8-4-12)23(24)25/h1-8,10,18H,9H2/b17-10-.
What are the key properties of N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline?
N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline has a molecular weight of 341.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline is sourced from PubChem (CID 6004454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).