3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one

C17H23FN2O — CID 43634310

IUPAC3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNC1CC(c2ccccc2F)C1)N1CCCC1
InChIInChI=1S/C17H23FN2O/c18-16-6-2-1-5-15(16)13-11-14(12-13)19-8-7-17(21)20-9-3-4-10-20/h1-2,5-6,13-14,19H,3-4,7-12H2
InChIKeyOCNVUZUJDHDPSY-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.67
Rot. Bonds5

About 3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one

3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43634310) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43634310
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNC1CC(c2ccccc2F)C1)N1CCCC1
InChIInChI=1S/C17H23FN2O/c18-16-6-2-1-5-15(16)13-11-14(12-13)19-8-7-17(21)20-9-3-4-10-20/h1-2,5-6,13-14,19H,3-4,7-12H2
InChIKeyOCNVUZUJDHDPSY-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate
CID 60782595
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 81300721
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809
3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013409
4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid
CID 94701076
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]acetate
CID 54921064
3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 107149638
3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid
CID 122012971
1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol
CID 65107731
N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43635354
3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64593683

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 43634310) is 3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNC1CC(c2ccccc2F)C1)N1CCCC1.
What is the InChIKey of 3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OCNVUZUJDHDPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-16-6-2-1-5-15(16)13-11-14(12-13)19-8-7-17(21)20-9-3-4-10-20/h1-2,5-6,13-14,19H,3-4,7-12H2.
What are the key properties of 3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 290.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43634310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).