N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide

C17H15ClFN5O2 — CID 50984278

IUPACN-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1ccc(Cl)cc1F)c1nc(-c2ccccn2)no1
InChIInChI=1S/C17H15ClFN5O2/c1-10(17-23-16(24-26-17)14-4-2-3-7-20-14)21-9-15(25)22-13-6-5-11(18)8-12(13)19/h2-8,10,21H,9H2,1H3,(H,22,25)
InChIKeyINTUQIVOZNEUTB-UHFFFAOYSA-N
MW375.79 g/mol
LogP3.21
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide

N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide (PubChem CID 50984278) has the molecular formula C17H15ClFN5O2 and a molecular weight of 375.79 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
PubChem CID50984278
Molecular FormulaC17H15ClFN5O2
Molecular Weight375.79 g/mol
Exact Mass375.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1ccc(Cl)cc1F)c1nc(-c2ccccn2)no1
InChIInChI=1S/C17H15ClFN5O2/c1-10(17-23-16(24-26-17)14-4-2-3-7-20-14)21-9-15(25)22-13-6-5-11(18)8-12(13)19/h2-8,10,21H,9H2,1H3,(H,22,25)
InChIKeyINTUQIVOZNEUTB-UHFFFAOYSA-N
XLogP3.21
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide (CID 50984278) is N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide is CC(NCC(=O)Nc1ccc(Cl)cc1F)c1nc(-c2ccccn2)no1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The InChIKey is INTUQIVOZNEUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O2/c1-10(17-23-16(24-26-17)14-4-2-3-7-20-14)21-9-15(25)22-13-6-5-11(18)8-12(13)19/h2-8,10,21H,9H2,1H3,(H,22,25).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide has a molecular weight of 375.79 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide is sourced from PubChem (CID 50984278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).