N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide

C18H21FN4O2 — CID 128972890

IUPACN,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN1CC(O)CC1c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O2/c19-15-5-3-14(4-6-15)17-11-16(24)12-23(17)13-18(25)22(9-1-7-20)10-2-8-21/h3-6,16-17,24H,1-2,9-13H2
InChIKeyPWAMEUNJUOJOQU-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.59
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide

N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 128972890) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
PubChem CID128972890
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN1CC(O)CC1c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O2/c19-15-5-3-14(4-6-15)17-11-16(24)12-23(17)13-18(25)22(9-1-7-20)10-2-8-21/h3-6,16-17,24H,1-2,9-13H2
InChIKeyPWAMEUNJUOJOQU-UHFFFAOYSA-N
XLogP1.59
TPSA91.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(2-cyanoethyl)-2-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 128978385
1-(4-acetylpiperazin-1-yl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
CID 129346514
N-(2-cyanoethyl)-3-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 100672674
N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 129346017
N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 119041162
N,N-bis(2-cyanoethyl)-2-[2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 60570471
(3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol
CID 129351038
N-(5-chloro-2-pyridinyl)-2-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 129350369
2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 128972858
3-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 129350156
3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 129346026
1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348463

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide (CID 128972890) is N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide is N#CCCN(CCC#N)C(=O)CN1CC(O)CC1c1ccc(F)cc1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is PWAMEUNJUOJOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-15-5-3-14(4-6-15)17-11-16(24)12-23(17)13-18(25)22(9-1-7-20)10-2-8-21/h3-6,16-17,24H,1-2,9-13H2.
What are the key properties of N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 344.39 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128972890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).