N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide

C14H19FN2O2 — CID 110480296

IUPACN-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
SMILESO=C(CCCO)NC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O2/c15-11-3-1-4-13(9-11)17-7-6-12(10-17)16-14(19)5-2-8-18/h1,3-4,9,12,18H,2,5-8,10H2,(H,16,19)
InChIKeyXHHXWMMUOQRXHU-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.29
Rot. Bonds5

About N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide

N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide (PubChem CID 110480296) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
PubChem CID110480296
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
SMILESO=C(CCCO)NC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O2/c15-11-3-1-4-13(9-11)17-7-6-12(10-17)16-14(19)5-2-8-18/h1,3-4,9,12,18H,2,5-8,10H2,(H,16,19)
InChIKeyXHHXWMMUOQRXHU-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide
CID 97255932
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110480014
N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420
1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea
CID 111437646
7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
CID 119861676
3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424362
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 99274476

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide?
The IUPAC name of N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide (CID 110480296) is N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide?
The canonical SMILES for N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide is O=C(CCCO)NC1CCN(c2cccc(F)c2)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide?
The InChIKey is XHHXWMMUOQRXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-11-3-1-4-13(9-11)17-7-6-12(10-17)16-14(19)5-2-8-18/h1,3-4,9,12,18H,2,5-8,10H2,(H,16,19).
What are the key properties of N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide?
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide has a molecular weight of 266.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide is sourced from PubChem (CID 110480296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).