trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide

C15H18F2N2O — CID 124781032

IUPACtrans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[C@@H]1CCNC1
InChIInChI=1S/C15H18F2N2O/c1-19(9-5-6-18-8-9)15(20)12-7-11(12)10-3-2-4-13(16)14(10)17/h2-4,9,11-12,18H,5-8H2,1H3/t9-,11+,12-/m1/s1
InChIKeyYRDHOFBTDRPKKO-ADEWGFFLSA-N
MW280.32 g/mol
LogP1.89
Rot. Bonds3

About trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 124781032) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
PubChem CID124781032
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametrans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[C@@H]1CCNC1
InChIInChI=1S/C15H18F2N2O/c1-19(9-5-6-18-8-9)15(20)12-7-11(12)10-3-2-4-13(16)14(10)17/h2-4,9,11-12,18H,5-8H2,1H3/t9-,11+,12-/m1/s1
InChIKeyYRDHOFBTDRPKKO-ADEWGFFLSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124613976
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119443435
2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 124703141
4-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]-methylamino]butanoic acid
CID 124687567
4-[[(1S,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]-methylamino]butanoic acid
CID 124687540
2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119443668
N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 119585310
N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 114059322
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 124781032) is trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide is CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[C@@H]1CCNC1.
What is the InChIKey of trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is YRDHOFBTDRPKKO-ADEWGFFLSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-19(9-5-6-18-8-9)15(20)12-7-11(12)10-3-2-4-13(16)14(10)17/h2-4,9,11-12,18H,5-8H2,1H3/t9-,11+,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124781032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).