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

C18H24F2N2O2 — CID 129424827

IUPACcis-(1S,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-SNPRPXQTSA-N
MW338.40 g/mol
LogP2.30
Rot. Bonds6

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

cis-(1S,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide (PubChem CID 129424827) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide
PubChem CID129424827
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Namecis-(1S,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-SNPRPXQTSA-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 cis-(1S,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide (CID 129424827) is cis-(1S,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,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 cis-(1S,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is WXJDANJWVHAQRA-SNPRPXQTSA-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 cis-(1S,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide?
cis-(1S,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 cis-(1S,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 129424827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).