4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline

C20H16FN3S — CID 7955585

IUPAC4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
SMILESC/C(=N/Nc1ccc(F)cc1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C20H16FN3S/c1-13(23-24-16-9-7-15(21)8-10-16)14-6-11-20-18(12-14)22-17-4-2-3-5-19(17)25-20/h2-12,22,24H,1H3/b23-13-
InChIKeyFZQQPIBPVNVMQC-QRVIBDJDSA-N
MW349.43 g/mol
LogP5.87
Rot. Bonds3

About 4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline

4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline (PubChem CID 7955585) has the molecular formula C20H16FN3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
PubChem CID7955585
Molecular FormulaC20H16FN3S
Molecular Weight349.43 g/mol
Exact Mass349.10
IUPAC Name4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
SMILESC/C(=N/Nc1ccc(F)cc1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C20H16FN3S/c1-13(23-24-16-9-7-15(21)8-10-16)14-6-11-20-18(12-14)22-17-4-2-3-5-19(17)25-20/h2-12,22,24H,1H3/b23-13-
InChIKeyFZQQPIBPVNVMQC-QRVIBDJDSA-N
XLogP5.87
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline?
The IUPAC name of 4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline (CID 7955585) is 4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline.
What is the SMILES notation for 4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline?
The canonical SMILES for 4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline is C/C(=N/Nc1ccc(F)cc1)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline?
The InChIKey is FZQQPIBPVNVMQC-QRVIBDJDSA-N. The full InChI is InChI=1S/C20H16FN3S/c1-13(23-24-16-9-7-15(21)8-10-16)14-6-11-20-18(12-14)22-17-4-2-3-5-19(17)25-20/h2-12,22,24H,1H3/b23-13-.
What are the key properties of 4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline?
4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline has a molecular weight of 349.43 g/mol, XLogP of 5.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline is sourced from PubChem (CID 7955585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).