N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide

C15H19FN2O — CID 113092391

IUPACN-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
SMILESO=C(Nc1cc(F)ccc1N1CCCC1)C1CCC1
InChIInChI=1S/C15H19FN2O/c16-12-6-7-14(18-8-1-2-9-18)13(10-12)17-15(19)11-4-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,19)
InChIKeyIOWBSIYEDXSUKI-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.16
Rot. Bonds3

About N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide

N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide (PubChem CID 113092391) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
PubChem CID113092391
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
SMILESO=C(Nc1cc(F)ccc1N1CCCC1)C1CCC1
InChIInChI=1S/C15H19FN2O/c16-12-6-7-14(18-8-1-2-9-18)13(10-12)17-15(19)11-4-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,19)
InChIKeyIOWBSIYEDXSUKI-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide
CID 113092620
(3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 95286790
N-(5-fluoro-2-morpholin-4-ylphenyl)oxane-4-carboxamide
CID 113092739
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092337
N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092590
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[2-(dimethylamino)-5-fluorophenyl]cyclobutanecarboxamide
CID 113092522
4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092341

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide (CID 113092391) is N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide is O=C(Nc1cc(F)ccc1N1CCCC1)C1CCC1.
What is the InChIKey of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide?
The InChIKey is IOWBSIYEDXSUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-12-6-7-14(18-8-1-2-9-18)13(10-12)17-15(19)11-4-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,19).
What are the key properties of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide?
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide has a molecular weight of 262.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 113092391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).