3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline

C20H18F2N2 — CID 23656763

IUPAC3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline
SMILESFc1cccc(NCc2ccc(CNc3cccc(F)c3)cc2)c1
InChIInChI=1S/C20H18F2N2/c21-17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(22)12-20/h1-12,23-24H,13-14H2
InChIKeyMRVJNVVKCFKIKW-UHFFFAOYSA-N
MW324.37 g/mol
LogP5.19
Rot. Bonds6

About 3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline

3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline (PubChem CID 23656763) has the molecular formula C20H18F2N2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline
PubChem CID23656763
Molecular FormulaC20H18F2N2
Molecular Weight324.37 g/mol
Exact Mass324.14
IUPAC Name3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline
SMILESFc1cccc(NCc2ccc(CNc3cccc(F)c3)cc2)c1
InChIInChI=1S/C20H18F2N2/c21-17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(22)12-20/h1-12,23-24H,13-14H2
InChIKeyMRVJNVVKCFKIKW-UHFFFAOYSA-N
XLogP5.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.37
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline?
The IUPAC name of 3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline (CID 23656763) is 3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline?
The canonical SMILES for 3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline is Fc1cccc(NCc2ccc(CNc3cccc(F)c3)cc2)c1.
What is the InChIKey of 3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline?
The InChIKey is MRVJNVVKCFKIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2/c21-17-3-1-5-19(11-17)23-13-15-7-9-16(10-8-15)14-24-20-6-2-4-18(22)12-20/h1-12,23-24H,13-14H2.
What are the key properties of 3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline?
3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline has a molecular weight of 324.37 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]aniline is sourced from PubChem (CID 23656763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).