2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline

C18H16F2N2O — CID 155547326

IUPAC2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline
SMILESFc1ccccc1NCc1ccc(CNc2ccccc2F)o1
InChIInChI=1S/C18H16F2N2O/c19-15-5-1-3-7-17(15)21-11-13-9-10-14(23-13)12-22-18-8-4-2-6-16(18)20/h1-10,21-22H,11-12H2
InChIKeyHYGTWJBYHYNJNP-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.78
Rot. Bonds6

About 2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline

2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline (PubChem CID 155547326) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline
PubChem CID155547326
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline
SMILESFc1ccccc1NCc1ccc(CNc2ccccc2F)o1
InChIInChI=1S/C18H16F2N2O/c19-15-5-1-3-7-17(15)21-11-13-9-10-14(23-13)12-22-18-8-4-2-6-16(18)20/h1-10,21-22H,11-12H2
InChIKeyHYGTWJBYHYNJNP-UHFFFAOYSA-N
XLogP4.78
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline?
The IUPAC name of 2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline (CID 155547326) is 2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline is Fc1ccccc1NCc1ccc(CNc2ccccc2F)o1.
What is the InChIKey of 2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline?
The InChIKey is HYGTWJBYHYNJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c19-15-5-1-3-7-17(15)21-11-13-9-10-14(23-13)12-22-18-8-4-2-6-16(18)20/h1-10,21-22H,11-12H2.
What are the key properties of 2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline?
2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline has a molecular weight of 314.34 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline is sourced from PubChem (CID 155547326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).