N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

C21H28ClFN4O2 — CID 171713385

IUPACN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCc1noc(C2CCCC2)n1)c1cc(CC2CCNC2)ccc1F
InChIInChI=1S/C21H27FN4O2.ClH/c22-18-6-5-14(11-15-7-9-23-13-15)12-17(18)20(27)24-10-8-19-25-21(28-26-19)16-3-1-2-4-16;/h5-6,12,15-16,23H,1-4,7-11,13H2,(H,24,27);1H
InChIKeyHANBPFJNIVMKMM-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.41
Rot. Bonds7

About N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 171713385) has the molecular formula C21H28ClFN4O2 and a molecular weight of 422.93 g/mol. Its IUPAC name is N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID171713385
Molecular FormulaC21H28ClFN4O2
Molecular Weight422.93 g/mol
Exact Mass422.19
IUPAC NameN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCc1noc(C2CCCC2)n1)c1cc(CC2CCNC2)ccc1F
InChIInChI=1S/C21H27FN4O2.ClH/c22-18-6-5-14(11-15-7-9-23-13-15)12-17(18)20(27)24-10-8-19-25-21(28-26-19)16-3-1-2-4-16;/h5-6,12,15-16,23H,1-4,7-11,13H2,(H,24,27);1H
InChIKeyHANBPFJNIVMKMM-UHFFFAOYSA-N
XLogP3.41
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (CID 171713385) is N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCCc1noc(C2CCCC2)n1)c1cc(CC2CCNC2)ccc1F.
What is the InChIKey of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is HANBPFJNIVMKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2.ClH/c22-18-6-5-14(11-15-7-9-23-13-15)12-17(18)20(27)24-10-8-19-25-21(28-26-19)16-3-1-2-4-16;/h5-6,12,15-16,23H,1-4,7-11,13H2,(H,24,27);1H.
What are the key properties of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 422.93 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 171713385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).