N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline

C23H18ClF2N3O — CID 15990155

IUPACN-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NC(c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl
InChIInChI=1S/C23H18ClF2N3O/c1-2-14-6-3-4-9-20(14)27-21(18-11-10-17(26)13-19(18)24)23-29-28-22(30-23)15-7-5-8-16(25)12-15/h3-13,21,27H,2H2,1H3
InChIKeyODWNHQDNAQSXGD-UHFFFAOYSA-N
MW425.87 g/mol
LogP6.43
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline

N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline (PubChem CID 15990155) has the molecular formula C23H18ClF2N3O and a molecular weight of 425.87 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline
PubChem CID15990155
Molecular FormulaC23H18ClF2N3O
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NC(c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl
InChIInChI=1S/C23H18ClF2N3O/c1-2-14-6-3-4-9-20(14)27-21(18-11-10-17(26)13-19(18)24)23-29-28-22(30-23)15-7-5-8-16(25)12-15/h3-13,21,27H,2H2,1H3
InChIKeyODWNHQDNAQSXGD-UHFFFAOYSA-N
XLogP6.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.87
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline (CID 15990155) is N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline is CCc1ccccc1NC(c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline?
The InChIKey is ODWNHQDNAQSXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N3O/c1-2-14-6-3-4-9-20(14)27-21(18-11-10-17(26)13-19(18)24)23-29-28-22(30-23)15-7-5-8-16(25)12-15/h3-13,21,27H,2H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline?
N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline has a molecular weight of 425.87 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethylaniline is sourced from PubChem (CID 15990155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).