N-cyclopentyl-3-fluoroazetidine-1-carboxamide

C9H15FN2O — CID 126986844

IUPACN-cyclopentyl-3-fluoroazetidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CC(F)C1
InChIInChI=1S/C9H15FN2O/c10-7-5-12(6-7)9(13)11-8-3-1-2-4-8/h7-8H,1-6H2,(H,11,13)
InChIKeyFVJQTWPDBSFEDI-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.29
Rot. Bonds1

About N-cyclopentyl-3-fluoroazetidine-1-carboxamide

N-cyclopentyl-3-fluoroazetidine-1-carboxamide (PubChem CID 126986844) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is N-cyclopentyl-3-fluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-fluoroazetidine-1-carboxamide
PubChem CID126986844
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC NameN-cyclopentyl-3-fluoroazetidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CC(F)C1
InChIInChI=1S/C9H15FN2O/c10-7-5-12(6-7)9(13)11-8-3-1-2-4-8/h7-8H,1-6H2,(H,11,13)
InChIKeyFVJQTWPDBSFEDI-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclopentyl-3-(trifluoromethyl)urea
CID 21511698
[(1S,3S)-3-fluorocyclopentyl]urea
CID 176245327
1-Cyclopentyl-3-(2,2,3,3-tetrafluoropropyl)urea
CID 106291082
1-Cyclopentyl-3-(2,2,2-trifluoroethyl)urea
CID 115575964
3-Cyclopentyl-1-methyl-1-(3,3,3-trifluoropropyl)urea
CID 115590965
1-Cyclopentyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115592898
3-Cyclopentyl-1-(2,2-difluoroethyl)-1-methylurea
CID 115612018
3-Cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 115629627
1-Cyclopentyl-3-(3,3,3-trifluoropropyl)urea
CID 115664764
1-Cyclopentyl-3-(4,4,4-trifluorobutyl)urea
CID 115664768
1-Cyclopentyl-3-(2,2-difluoroethyl)urea
CID 115667099
1-Cyclopentyl-3-(5,5,5-trifluoropentyl)urea
CID 115758221

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-fluoroazetidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-fluoroazetidine-1-carboxamide (CID 126986844) is N-cyclopentyl-3-fluoroazetidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-fluoroazetidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-fluoroazetidine-1-carboxamide is O=C(NC1CCCC1)N1CC(F)C1.
What is the InChIKey of N-cyclopentyl-3-fluoroazetidine-1-carboxamide?
The InChIKey is FVJQTWPDBSFEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c10-7-5-12(6-7)9(13)11-8-3-1-2-4-8/h7-8H,1-6H2,(H,11,13).
What are the key properties of N-cyclopentyl-3-fluoroazetidine-1-carboxamide?
N-cyclopentyl-3-fluoroazetidine-1-carboxamide has a molecular weight of 186.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-fluoroazetidine-1-carboxamide is sourced from PubChem (CID 126986844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).