trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide

C16H19F2NO4 — CID 138012482

IUPACtrans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H19F2NO4/c17-16(18)23-10-3-1-9(2-4-10)11-7-12(11)15(21)19-13-5-6-22-8-14(13)20/h1-4,11-14,16,20H,5-8H2,(H,19,21)/t11-,12+,13+,14+/m0/s1
InChIKeyWZBSGVGOOUPVHB-REWJHTLYSA-N
MW327.33 g/mol
LogP1.66
Rot. Bonds5

About trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide (PubChem CID 138012482) has the molecular formula C16H19F2NO4 and a molecular weight of 327.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide
PubChem CID138012482
Molecular FormulaC16H19F2NO4
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Nametrans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H19F2NO4/c17-16(18)23-10-3-1-9(2-4-10)11-7-12(11)15(21)19-13-5-6-22-8-14(13)20/h1-4,11-14,16,20H,5-8H2,(H,19,21)/t11-,12+,13+,14+/m0/s1
InChIKeyWZBSGVGOOUPVHB-REWJHTLYSA-N
XLogP1.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 167966999
trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide
CID 138012251
1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
CID 136581485
(3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide
CID 129378077
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 91774191
cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888254
trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 30254146
cis-(1S,2R)-N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95346231
trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 129377935
2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide
CID 166236273
trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 166311794
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide (CID 138012482) is trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide is O=C(N[C@@H]1CCOC[C@H]1O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1.
What is the InChIKey of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide?
The InChIKey is WZBSGVGOOUPVHB-REWJHTLYSA-N. The full InChI is InChI=1S/C16H19F2NO4/c17-16(18)23-10-3-1-9(2-4-10)11-7-12(11)15(21)19-13-5-6-22-8-14(13)20/h1-4,11-14,16,20H,5-8H2,(H,19,21)/t11-,12+,13+,14+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138012482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).