[7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride

C16H13Cl2FN2 — CID 86577124

IUPAC[7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride
SMILES[Cl-].[NH3+]c1ccc(Nc2ccccc2F)c2ccc(Cl)cc12
InChIInChI=1S/C16H12ClFN2.ClH/c17-10-5-6-11-12(9-10)14(19)7-8-15(11)20-16-4-2-1-3-13(16)18;/h1-9,20H,19H2;1H
InChIKeyRWADCWUSRTXTAT-UHFFFAOYSA-N
MW323.20 g/mol
LogP1.25
Rot. Bonds2

About [7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride

[7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride (PubChem CID 86577124) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is [7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride.

Molecular Properties

Compound Name[7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride
PubChem CID86577124
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name[7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride
SMILES[Cl-].[NH3+]c1ccc(Nc2ccccc2F)c2ccc(Cl)cc12
InChIInChI=1S/C16H12ClFN2.ClH/c17-10-5-6-11-12(9-10)14(19)7-8-15(11)20-16-4-2-1-3-13(16)18;/h1-9,20H,19H2;1H
InChIKeyRWADCWUSRTXTAT-UHFFFAOYSA-N
XLogP1.25
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride?
The IUPAC name of [7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride (CID 86577124) is [7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride.
What is the SMILES notation for [7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride?
The canonical SMILES for [7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride is [Cl-].[NH3+]c1ccc(Nc2ccccc2F)c2ccc(Cl)cc12.
What is the InChIKey of [7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride?
The InChIKey is RWADCWUSRTXTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2.ClH/c17-10-5-6-11-12(9-10)14(19)7-8-15(11)20-16-4-2-1-3-13(16)18;/h1-9,20H,19H2;1H.
What are the key properties of [7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride?
[7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride has a molecular weight of 323.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-4-(2-fluoroanilino)naphthalen-1-yl]azanium chloride is sourced from PubChem (CID 86577124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).