trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide

C18H24F2N2O2 — CID 129424828

IUPACtrans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide
SMILESC[C@H](CCN1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F
InChIInChI=1S/C18H24F2N2O2/c1-12(5-6-22-7-9-24-10-8-22)21-18(23)15-11-14(15)13-3-2-4-16(19)17(13)20/h2-4,12,14-15H,5-11H2,1H3,(H,21,23)/t12-,14+,15-/m1/s1
InChIKeyWXJDANJWVHAQRA-VHDGCEQUSA-N
MW338.40 g/mol
LogP2.30
Rot. Bonds6

About trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide (PubChem CID 129424828) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide
PubChem CID129424828
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Nametrans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide
SMILESC[C@H](CCN1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F
InChIInChI=1S/C18H24F2N2O2/c1-12(5-6-22-7-9-24-10-8-22)21-18(23)15-11-14(15)13-3-2-4-16(19)17(13)20/h2-4,12,14-15H,5-11H2,1H3,(H,21,23)/t12-,14+,15-/m1/s1
InChIKeyWXJDANJWVHAQRA-VHDGCEQUSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide (CID 129424828) is trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide is C[C@H](CCN1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F.
What is the InChIKey of trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is WXJDANJWVHAQRA-VHDGCEQUSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-12(5-6-22-7-9-24-10-8-22)21-18(23)15-11-14(15)13-3-2-4-16(19)17(13)20/h2-4,12,14-15H,5-11H2,1H3,(H,21,23)/t12-,14+,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 129424828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).