3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline

C21H14Cl2FN3O — CID 92656819

IUPAC3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1Cl
InChIInChI=1S/C21H14Cl2FN3O/c22-15-8-6-13(7-9-15)19(25-16-10-11-18(24)17(23)12-16)21-27-26-20(28-21)14-4-2-1-3-5-14/h1-12,19,25H/t19-/m1/s1
InChIKeyBQBZHJYJHNCCNJ-LJQANCHMSA-N
MW414.27 g/mol
LogP6.38
Rot. Bonds5

About 3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline

3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline (PubChem CID 92656819) has the molecular formula C21H14Cl2FN3O and a molecular weight of 414.27 g/mol. Its IUPAC name is 3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
PubChem CID92656819
Molecular FormulaC21H14Cl2FN3O
Molecular Weight414.27 g/mol
Exact Mass413.05
IUPAC Name3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1Cl
InChIInChI=1S/C21H14Cl2FN3O/c22-15-8-6-13(7-9-15)19(25-16-10-11-18(24)17(23)12-16)21-27-26-20(28-21)14-4-2-1-3-5-14/h1-12,19,25H/t19-/m1/s1
InChIKeyBQBZHJYJHNCCNJ-LJQANCHMSA-N
XLogP6.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.27
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 22432811
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-methylaniline
CID 92656812
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-methylaniline
CID 22432808
4-chloro-N-[(R)-(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 92700621
3-chloro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylaniline
CID 22432969
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxyaniline
CID 22432817
3-chloro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 22433067
4-chloro-N-[(R)-(4-chlorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 41142900
4-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 20944456
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-ylaniline
CID 20944407
3-chloro-N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 92700767
3,4-difluoro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 20944491

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline?
The IUPAC name of 3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline (CID 92656819) is 3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline?
The canonical SMILES for 3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline is Fc1ccc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline?
The InChIKey is BQBZHJYJHNCCNJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H14Cl2FN3O/c22-15-8-6-13(7-9-15)19(25-16-10-11-18(24)17(23)12-16)21-27-26-20(28-21)14-4-2-1-3-5-14/h1-12,19,25H/t19-/m1/s1.
What are the key properties of 3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline?
3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline has a molecular weight of 414.27 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 92656819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).