N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide

C13H25FN2O — CID 163271938

IUPACN-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide
SMILESCCC(=O)NC(CCN1CCC(F)C1)C(C)C
InChIInChI=1S/C13H25FN2O/c1-4-13(17)15-12(10(2)3)6-8-16-7-5-11(14)9-16/h10-12H,4-9H2,1-3H3,(H,15,17)
InChIKeyLGMOWELMVIIAIJ-UHFFFAOYSA-N
MW244.35 g/mol
LogP1.97
Rot. Bonds6

About N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide

N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide (PubChem CID 163271938) has the molecular formula C13H25FN2O and a molecular weight of 244.35 g/mol. Its IUPAC name is N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide
PubChem CID163271938
Molecular FormulaC13H25FN2O
Molecular Weight244.35 g/mol
Exact Mass244.20
IUPAC NameN-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide
SMILESCCC(=O)NC(CCN1CCC(F)C1)C(C)C
InChIInChI=1S/C13H25FN2O/c1-4-13(17)15-12(10(2)3)6-8-16-7-5-11(14)9-16/h10-12H,4-9H2,1-3H3,(H,15,17)
InChIKeyLGMOWELMVIIAIJ-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide?
The IUPAC name of N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide (CID 163271938) is N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide.
What is the SMILES notation for N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide?
The canonical SMILES for N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide is CCC(=O)NC(CCN1CCC(F)C1)C(C)C.
What is the InChIKey of N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide?
The InChIKey is LGMOWELMVIIAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O/c1-4-13(17)15-12(10(2)3)6-8-16-7-5-11(14)9-16/h10-12H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide?
N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide has a molecular weight of 244.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-yl]propanamide is sourced from PubChem (CID 163271938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).