2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide

C18H16ClF4N3O2 — CID 118286641

IUPAC2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CC1c1ccc(F)cc1Cl)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H16ClF4N3O2/c1-9(15-6-25-16(7-24-15)28-8-18(21,22)23)26-17(27)13-5-12(13)11-3-2-10(20)4-14(11)19/h2-4,6-7,9,12-13H,5,8H2,1H3,(H,26,27)/t9-,12?,13?/m1/s1
InChIKeyUIZIEPVUPNLASZ-UHEGKEBESA-N
MW417.79 g/mol
LogP4.19
Rot. Bonds6

About 2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide

2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 118286641) has the molecular formula C18H16ClF4N3O2 and a molecular weight of 417.79 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID118286641
Molecular FormulaC18H16ClF4N3O2
Molecular Weight417.79 g/mol
Exact Mass417.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CC1c1ccc(F)cc1Cl)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H16ClF4N3O2/c1-9(15-6-25-16(7-24-15)28-8-18(21,22)23)26-17(27)13-5-12(13)11-3-2-10(20)4-14(11)19/h2-4,6-7,9,12-13H,5,8H2,1H3,(H,26,27)/t9-,12?,13?/m1/s1
InChIKeyUIZIEPVUPNLASZ-UHEGKEBESA-N
XLogP4.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide (CID 118286641) is 2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1CC1c1ccc(F)cc1Cl)c1cnc(OCC(F)(F)F)cn1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is UIZIEPVUPNLASZ-UHEGKEBESA-N. The full InChI is InChI=1S/C18H16ClF4N3O2/c1-9(15-6-25-16(7-24-15)28-8-18(21,22)23)26-17(27)13-5-12(13)11-3-2-10(20)4-14(11)19/h2-4,6-7,9,12-13H,5,8H2,1H3,(H,26,27)/t9-,12?,13?/m1/s1.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?
2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 417.79 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 118286641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).