N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide

C16H19FN2O2 — CID 95051653

IUPACN-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CCN(C(=O)c2ccc(F)cc2)C1)C1CCC1
InChIInChI=1S/C16H19FN2O2/c17-13-6-4-12(5-7-13)16(21)19-9-8-14(10-19)18-15(20)11-2-1-3-11/h4-7,11,14H,1-3,8-10H2,(H,18,20)/t14-/m0/s1
InChIKeySZHJETFOYOPUNL-AWEZNQCLSA-N
MW290.34 g/mol
LogP1.96
Rot. Bonds3

About N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide

N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 95051653) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
PubChem CID95051653
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CCN(C(=O)c2ccc(F)cc2)C1)C1CCC1
InChIInChI=1S/C16H19FN2O2/c17-13-6-4-12(5-7-13)16(21)19-9-8-14(10-19)18-15(20)11-2-1-3-11/h4-7,11,14H,1-3,8-10H2,(H,18,20)/t14-/m0/s1
InChIKeySZHJETFOYOPUNL-AWEZNQCLSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051733
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 124614187
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
CID 56569031
N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 166323550

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide (CID 95051653) is N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide is O=C(N[C@H]1CCN(C(=O)c2ccc(F)cc2)C1)C1CCC1.
What is the InChIKey of N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
The InChIKey is SZHJETFOYOPUNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-13-6-4-12(5-7-13)16(21)19-9-8-14(10-19)18-15(20)11-2-1-3-11/h4-7,11,14H,1-3,8-10H2,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 95051653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).