N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide

C14H19FN2O2 — CID 119744906

IUPACN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C14H19FN2O2/c15-13-6-10(3-4-11(13)9-18)8-17-14(19)7-12-2-1-5-16-12/h3-4,6,12,16,18H,1-2,5,7-9H2,(H,17,19)
InChIKeyRJAZZIUCOHLCHN-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.08
Rot. Bonds5

About N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide

N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119744906) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119744906
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C14H19FN2O2/c15-13-6-10(3-4-11(13)9-18)8-17-14(19)7-12-2-1-5-16-12/h3-4,6,12,16,18H,1-2,5,7-9H2,(H,17,19)
InChIKeyRJAZZIUCOHLCHN-UHFFFAOYSA-N
XLogP1.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119707933
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119864556
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571
3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
CID 61366263
2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701241
N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119753695
N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119780998
N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 62997538
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 110012377

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide (CID 119744906) is N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCc1ccc(CO)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is RJAZZIUCOHLCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-13-6-10(3-4-11(13)9-18)8-17-14(19)7-12-2-1-5-16-12/h3-4,6,12,16,18H,1-2,5,7-9H2,(H,17,19).
What are the key properties of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide?
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 266.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119744906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).