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

C13H17FN2O — CID 62540928

IUPAC2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCC1CCCN1
InChIInChI=1S/C13H17FN2O/c14-11-4-1-3-10(7-11)8-13(17)16-9-12-5-2-6-15-12/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,16,17)
InChIKeyGDIDPSGXHAKHFI-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.24
Rot. Bonds4

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

2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 62540928) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID62540928
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCC1CCCN1
InChIInChI=1S/C13H17FN2O/c14-11-4-1-3-10(7-11)8-13(17)16-9-12-5-2-6-15-12/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,16,17)
InChIKeyGDIDPSGXHAKHFI-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305010
2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 115736889
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
2-(3-fluorophenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 120573514
2-(2,3-dihydro-1H-inden-5-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510465
2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide
CID 111464107
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754
3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513358
2-(3-fluorophenyl)-N-[(6-methylpiperidin-3-yl)methyl]acetamide
CID 63007620
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide (CID 62540928) is 2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide is O=C(Cc1cccc(F)c1)NCC1CCCN1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is GDIDPSGXHAKHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-4-1-3-10(7-11)8-13(17)16-9-12-5-2-6-15-12/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,16,17).
What are the key properties of 2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 236.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 62540928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).