trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide

C17H15F3N2O — CID 124840506

IUPACtrans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1cncc(F)c1
InChIInChI=1S/C17H15F3N2O/c1-9(10-5-11(18)8-21-7-10)22-17(23)13-6-12(13)16-14(19)3-2-4-15(16)20/h2-5,7-9,12-13H,6H2,1H3,(H,22,23)/t9-,12+,13+/m0/s1
InChIKeyDWAUCNSLFBTGNM-ZWKOPEQDSA-N
MW320.31 g/mol
LogP3.48
Rot. Bonds4

About trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 124840506) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide
PubChem CID124840506
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Nametrans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1cncc(F)c1
InChIInChI=1S/C17H15F3N2O/c1-9(10-5-11(18)8-21-7-10)22-17(23)13-6-12(13)16-14(19)3-2-4-15(16)20/h2-5,7-9,12-13H,6H2,1H3,(H,22,23)/t9-,12+,13+/m0/s1
InChIKeyDWAUCNSLFBTGNM-ZWKOPEQDSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 99251694
2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188244
N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119586711
cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 97021078
trans-(1R,2R)-N-[(1R)-1-[5-(1-cyclopropylethoxy)-2-pyridinyl]ethyl]-2-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
CID 118286654
cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide
CID 124729482
3-[[(1S,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704672
2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225395
(2S)-2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238212
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119219050

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide (CID 124840506) is trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1cncc(F)c1.
What is the InChIKey of trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is DWAUCNSLFBTGNM-ZWKOPEQDSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-9(10-5-11(18)8-21-7-10)22-17(23)13-6-12(13)16-14(19)3-2-4-15(16)20/h2-5,7-9,12-13H,6H2,1H3,(H,22,23)/t9-,12+,13+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124840506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).