N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide

C13H14FN3O — CID 102817209

IUPACN-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(F)cc(C#N)c2)C1
InChIInChI=1S/C13H14FN3O/c1-9(18)16-12-2-3-17(8-12)13-5-10(7-15)4-11(14)6-13/h4-6,12H,2-3,8H2,1H3,(H,16,18)
InChIKeyBIAGZWKUKRKUNP-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.41
Rot. Bonds2

About N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide

N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide (PubChem CID 102817209) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide
PubChem CID102817209
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(F)cc(C#N)c2)C1
InChIInChI=1S/C13H14FN3O/c1-9(18)16-12-2-3-17(8-12)13-5-10(7-15)4-11(14)6-13/h4-6,12H,2-3,8H2,1H3,(H,16,18)
InChIKeyBIAGZWKUKRKUNP-UHFFFAOYSA-N
XLogP1.41
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromo-5-cyanophenyl)pyrrolidin-3-yl]acetamide
CID 102817208
3-fluoro-5-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 102816263
3-fluoro-5-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile
CID 102817261
N-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 114766577
N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 103469010
N-[1-(4-aminophenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 21087634
1-[2-[[1-(3-cyano-5-fluorophenyl)piperidin-4-yl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
CID 21090336
N-[1-(4-chloro-2-cyanophenyl)pyrrolidin-3-yl]acetamide
CID 113402290
3-fluoro-5-[4-(pyrimidin-4-ylamino)piperidin-1-yl]benzonitrile
CID 171326868
methyl N-[1-(3-fluoro-5-formylphenyl)pyrrolidin-3-yl]carbamate
CID 106529376
3-(azocan-1-yl)-5-fluorobenzonitrile
CID 102815222
N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 71862458

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide (CID 102817209) is N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2cc(F)cc(C#N)c2)C1.
What is the InChIKey of N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is BIAGZWKUKRKUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9(18)16-12-2-3-17(8-12)13-5-10(7-15)4-11(14)6-13/h4-6,12H,2-3,8H2,1H3,(H,16,18).
What are the key properties of N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide?
N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 247.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 102817209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).