2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide

C7H13FN2O — CID 174605600

IUPAC2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
SMILESO=C(CF)NCC1CCNC1
InChIInChI=1S/C7H13FN2O/c8-3-7(11)10-5-6-1-2-9-4-6/h6,9H,1-5H2,(H,10,11)
InChIKeyQLMRMSFMKGVBFI-UHFFFAOYSA-N
MW160.19 g/mol
LogP-0.32
Rot. Bonds3

About 2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide

2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide (PubChem CID 174605600) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
PubChem CID174605600
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
SMILESO=C(CF)NCC1CCNC1
InChIInChI=1S/C7H13FN2O/c8-3-7(11)10-5-6-1-2-9-4-6/h6,9H,1-5H2,(H,10,11)
InChIKeyQLMRMSFMKGVBFI-UHFFFAOYSA-N
XLogP-0.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564380
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
2-(oxan-4-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271886
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 71644965
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
N-(cyclopropylmethyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62371934
4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide
CID 80564687
2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 99854012
2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 172876281
2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride
CID 130697516

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide?
The IUPAC name of 2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide (CID 174605600) is 2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide is O=C(CF)NCC1CCNC1.
What is the InChIKey of 2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide?
The InChIKey is QLMRMSFMKGVBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c8-3-7(11)10-5-6-1-2-9-4-6/h6,9H,1-5H2,(H,10,11).
What are the key properties of 2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide?
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide has a molecular weight of 160.19 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide is sourced from PubChem (CID 174605600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).