N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide

C19H24FN3O2 — CID 129346017

IUPACN-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C19H24FN3O2/c20-15-6-4-14(5-7-15)17-10-16(24)11-23(17)12-18(25)22-19(13-21)8-2-1-3-9-19/h4-7,16-17,24H,1-3,8-12H2,(H,22,25)/t16-,17+/m0/s1
InChIKeyFYJCXDPXLCQLAQ-DLBZAZTESA-N
MW345.42 g/mol
LogP2.28
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide

N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 129346017) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
PubChem CID129346017
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C19H24FN3O2/c20-15-6-4-14(5-7-15)17-10-16(24)11-23(17)12-18(25)22-19(13-21)8-2-1-3-9-19/h4-7,16-17,24H,1-3,8-12H2,(H,22,25)/t16-,17+/m0/s1
InChIKeyFYJCXDPXLCQLAQ-DLBZAZTESA-N
XLogP2.28
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
CID 51339474
N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 128972890
2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 128972858
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 51980802
2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100662667
N-(1-cyanocyclopentyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 47104633
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(1-cyanocyclohexyl)acetamide
CID 60917389
N-(1-cyanocyclohexyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 9403043
N-(1-cyanocyclohexyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 51227395
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide
CID 94632936

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide (CID 129346017) is N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide is N#CC1(NC(=O)CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is FYJCXDPXLCQLAQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-15-6-4-14(5-7-15)17-10-16(24)11-23(17)12-18(25)22-19(13-21)8-2-1-3-9-19/h4-7,16-17,24H,1-3,8-12H2,(H,22,25)/t16-,17+/m0/s1.
What are the key properties of N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129346017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).