2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide

C18H16F5N3O2 — CID 67289630

IUPAC2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CC1c1cc(F)cc(F)c1)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H16F5N3O2/c1-9(15-6-25-16(7-24-15)28-8-18(21,22)23)26-17(27)14-5-13(14)10-2-11(19)4-12(20)3-10/h2-4,6-7,9,13-14H,5,8H2,1H3,(H,26,27)/t9-,13?,14?/m1/s1
InChIKeyQWIFPUPFPJAGAV-BZFQTPOWSA-N
MW401.34 g/mol
LogP3.68
Rot. Bonds6

About 2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide

2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 67289630) has the molecular formula C18H16F5N3O2 and a molecular weight of 401.34 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID67289630
Molecular FormulaC18H16F5N3O2
Molecular Weight401.34 g/mol
Exact Mass401.12
IUPAC Name2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CC1c1cc(F)cc(F)c1)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H16F5N3O2/c1-9(15-6-25-16(7-24-15)28-8-18(21,22)23)26-17(27)14-5-13(14)10-2-11(19)4-12(20)3-10/h2-4,6-7,9,13-14H,5,8H2,1H3,(H,26,27)/t9-,13?,14?/m1/s1
InChIKeyQWIFPUPFPJAGAV-BZFQTPOWSA-N
XLogP3.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide (CID 67289630) is 2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1CC1c1cc(F)cc(F)c1)c1cnc(OCC(F)(F)F)cn1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is QWIFPUPFPJAGAV-BZFQTPOWSA-N. The full InChI is InChI=1S/C18H16F5N3O2/c1-9(15-6-25-16(7-24-15)28-8-18(21,22)23)26-17(27)14-5-13(14)10-2-11(19)4-12(20)3-10/h2-4,6-7,9,13-14H,5,8H2,1H3,(H,26,27)/t9-,13?,14?/m1/s1.
What are the key properties of 2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 401.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67289630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).