4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline

C22H16F2N2 — CID 146374126

IUPAC4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline
SMILESNc1ccc(-c2cccc3c(-c4ccc(N)c(F)c4)cccc23)cc1F
InChIInChI=1S/C22H16F2N2/c23-19-11-13(7-9-21(19)25)15-3-1-5-17-16(4-2-6-18(15)17)14-8-10-22(26)20(24)12-14/h1-12H,25-26H2
InChIKeyRMJHBYTUEPDKBX-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.62
Rot. Bonds2

About 4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline

4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline (PubChem CID 146374126) has the molecular formula C22H16F2N2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline.

Molecular Properties

Compound Name4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline
PubChem CID146374126
Molecular FormulaC22H16F2N2
Molecular Weight346.38 g/mol
Exact Mass346.13
IUPAC Name4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline
SMILESNc1ccc(-c2cccc3c(-c4ccc(N)c(F)c4)cccc23)cc1F
InChIInChI=1S/C22H16F2N2/c23-19-11-13(7-9-21(19)25)15-3-1-5-17-16(4-2-6-18(15)17)14-8-10-22(26)20(24)12-14/h1-12H,25-26H2
InChIKeyRMJHBYTUEPDKBX-UHFFFAOYSA-N
XLogP5.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline?
The IUPAC name of 4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline (CID 146374126) is 4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline.
What is the SMILES notation for 4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline?
The canonical SMILES for 4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline is Nc1ccc(-c2cccc3c(-c4ccc(N)c(F)c4)cccc23)cc1F.
What is the InChIKey of 4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline?
The InChIKey is RMJHBYTUEPDKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2/c23-19-11-13(7-9-21(19)25)15-3-1-5-17-16(4-2-6-18(15)17)14-8-10-22(26)20(24)12-14/h1-12H,25-26H2.
What are the key properties of 4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline?
4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline has a molecular weight of 346.38 g/mol, XLogP of 5.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline is sourced from PubChem (CID 146374126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).