[3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone

C22H24F2N2O — CID 137471212

IUPAC[3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
SMILESNC1CCN(C(=O)C2CCC2)C1Cc1ccc(F)c(-c2cccc(F)c2)c1
InChIInChI=1S/C22H24F2N2O/c23-17-6-2-5-16(13-17)18-11-14(7-8-19(18)24)12-21-20(25)9-10-26(21)22(27)15-3-1-4-15/h2,5-8,11,13,15,20-21H,1,3-4,9-10,12,25H2
InChIKeyOAVHIHQGFFYJTE-UHFFFAOYSA-N
MW370.44 g/mol
LogP3.90
Rot. Bonds4

About [3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone

[3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone (PubChem CID 137471212) has the molecular formula C22H24F2N2O and a molecular weight of 370.44 g/mol. Its IUPAC name is [3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
PubChem CID137471212
Molecular FormulaC22H24F2N2O
Molecular Weight370.44 g/mol
Exact Mass370.19
IUPAC Name[3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
SMILESNC1CCN(C(=O)C2CCC2)C1Cc1ccc(F)c(-c2cccc(F)c2)c1
InChIInChI=1S/C22H24F2N2O/c23-17-6-2-5-16(13-17)18-11-14(7-8-19(18)24)12-21-20(25)9-10-26(21)22(27)15-3-1-4-15/h2,5-8,11,13,15,20-21H,1,3-4,9-10,12,25H2
InChIKeyOAVHIHQGFFYJTE-UHFFFAOYSA-N
XLogP3.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 156533967
[3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471231
N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137462085
N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]oxolane-2-carboxamide
CID 156533969
[3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471114
3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 154960242
[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 125148175
[4-fluoro-3-(3-fluorophenyl)phenyl]methanamine
CID 46312433
1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 137471009
1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 137471006
[(2S,3R,4S)-3-amino-4-fluoro-2-[[2-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 155044714
tert-butyl (2S,3S)-3-amino-2-[(3-bromo-4-fluorophenyl)methyl]pyrrolidine-1-carboxylate
CID 137461473

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone (CID 137471212) is [3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone is NC1CCN(C(=O)C2CCC2)C1Cc1ccc(F)c(-c2cccc(F)c2)c1.
What is the InChIKey of [3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The InChIKey is OAVHIHQGFFYJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O/c23-17-6-2-5-16(13-17)18-11-14(7-8-19(18)24)12-21-20(25)9-10-26(21)22(27)15-3-1-4-15/h2,5-8,11,13,15,20-21H,1,3-4,9-10,12,25H2.
What are the key properties of [3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
[3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone has a molecular weight of 370.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 137471212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).