2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide

C20H23ClFN3O2 — CID 90699753

IUPAC2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide
SMILESCC(F)CC1CC1c1cnc(C(C)NC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H23ClFN3O2/c1-12(22)7-14-8-17(14)19-10-23-18(9-24-19)13(2)25-20(26)11-27-16-5-3-15(21)4-6-16/h3-6,9-10,12-14,17H,7-8,11H2,1-2H3,(H,25,26)
InChIKeySFLOFTHMAMGMBA-UHFFFAOYSA-N
MW391.87 g/mol
LogP4.24
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide

2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide (PubChem CID 90699753) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide
PubChem CID90699753
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC Name2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide
SMILESCC(F)CC1CC1c1cnc(C(C)NC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H23ClFN3O2/c1-12(22)7-14-8-17(14)19-10-23-18(9-24-19)13(2)25-20(26)11-27-16-5-3-15(21)4-6-16/h3-6,9-10,12-14,17H,7-8,11H2,1-2H3,(H,25,26)
InChIKeySFLOFTHMAMGMBA-UHFFFAOYSA-N
XLogP4.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide (CID 90699753) is 2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide is CC(F)CC1CC1c1cnc(C(C)NC(=O)COc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide?
The InChIKey is SFLOFTHMAMGMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O2/c1-12(22)7-14-8-17(14)19-10-23-18(9-24-19)13(2)25-20(26)11-27-16-5-3-15(21)4-6-16/h3-6,9-10,12-14,17H,7-8,11H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide has a molecular weight of 391.87 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[5-[2-(2-fluoropropyl)cyclopropyl]pyrazin-2-yl]ethyl]acetamide is sourced from PubChem (CID 90699753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).