[3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone

C22H25FN2O — CID 137471231

IUPAC[3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
SMILESNC1CCN(C(=O)C2CCC2)C1Cc1cc(F)cc(-c2ccccc2)c1
InChIInChI=1S/C22H25FN2O/c23-19-12-15(11-18(14-19)16-5-2-1-3-6-16)13-21-20(24)9-10-25(21)22(26)17-7-4-8-17/h1-3,5-6,11-12,14,17,20-21H,4,7-10,13,24H2
InChIKeyVVLKWBUKRQFVJX-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.76
Rot. Bonds4

About [3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone

[3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone (PubChem CID 137471231) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is [3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
PubChem CID137471231
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name[3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
SMILESNC1CCN(C(=O)C2CCC2)C1Cc1cc(F)cc(-c2ccccc2)c1
InChIInChI=1S/C22H25FN2O/c23-19-12-15(11-18(14-19)16-5-2-1-3-6-16)13-21-20(24)9-10-25(21)22(26)17-7-4-8-17/h1-3,5-6,11-12,14,17,20-21H,4,7-10,13,24H2
InChIKeyVVLKWBUKRQFVJX-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.76
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-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471212
[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
N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137462085
cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137470985
N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]oxolane-2-carboxamide
CID 156533969
N-[(2R)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-methoxymethanesulfonamide
CID 137469770
N-[2-[(3-bromo-5-fluorophenyl)methyl]-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 137462102
[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 125148175
methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137470993
1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 137471009

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone (CID 137471231) is [3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone is NC1CCN(C(=O)C2CCC2)C1Cc1cc(F)cc(-c2ccccc2)c1.
What is the InChIKey of [3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
The InChIKey is VVLKWBUKRQFVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-19-12-15(11-18(14-19)16-5-2-1-3-6-16)13-21-20(24)9-10-25(21)22(26)17-7-4-8-17/h1-3,5-6,11-12,14,17,20-21H,4,7-10,13,24H2.
What are the key properties of [3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone?
[3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone has a molecular weight of 352.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 137471231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).