2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone

C22H24F2N2O2 — CID 137401925

IUPAC2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1)N1CCCC1
InChIInChI=1S/C22H24F2N2O2/c23-16-10-18(17-12-20(17)25-13-21(27)26-8-4-5-9-26)22(19(24)11-16)28-14-15-6-2-1-3-7-15/h1-3,6-7,10-11,17,20,25H,4-5,8-9,12-14H2
InChIKeyPLRADXLWXFPFMJ-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.61
Rot. Bonds7

About 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone

2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 137401925) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID137401925
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1)N1CCCC1
InChIInChI=1S/C22H24F2N2O2/c23-16-10-18(17-12-20(17)25-13-21(27)26-8-4-5-9-26)22(19(24)11-16)28-14-15-6-2-1-3-7-15/h1-3,6-7,10-11,17,20,25H,4-5,8-9,12-14H2
InChIKeyPLRADXLWXFPFMJ-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 137402199
2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 162611121
2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 142514214
1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone
CID 154972366
N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine
CID 137401937
N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine
CID 142514182
trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)-N-(1H-indol-7-ylmethyl)cyclopropan-1-amine;hydrochloride
CID 142514226
2-[[(1S,2R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 67449223
1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one
CID 162163799
1-(4-ethylpiperazin-1-yl)-2-[(2-phenylcyclopropyl)amino]ethanone
CID 66978917
benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate
CID 103393718
2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 66978926

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone (CID 137401925) is 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone is O=C(CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1)N1CCCC1.
What is the InChIKey of 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is PLRADXLWXFPFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c23-16-10-18(17-12-20(17)25-13-21(27)26-8-4-5-9-26)22(19(24)11-16)28-14-15-6-2-1-3-7-15/h1-3,6-7,10-11,17,20,25H,4-5,8-9,12-14H2.
What are the key properties of 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone?
2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 386.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 137401925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).