4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile

C19H24FN3O — CID 21090367

IUPAC4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CC(F)CN1C(=O)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H24FN3O/c20-16-10-18(11-21)23(13-16)19(24)12-22-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-5,15-18,22H,6-10,12-13H2
InChIKeyWRGKTHLSAQIGHM-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.76
Rot. Bonds4

About 4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile

4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile (PubChem CID 21090367) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile
PubChem CID21090367
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CC(F)CN1C(=O)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H24FN3O/c20-16-10-18(11-21)23(13-16)19(24)12-22-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-5,15-18,22H,6-10,12-13H2
InChIKeyWRGKTHLSAQIGHM-UHFFFAOYSA-N
XLogP2.76
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile (CID 21090367) is 4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile is N#CC1CC(F)CN1C(=O)CNC1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is WRGKTHLSAQIGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c20-16-10-18(11-21)23(13-16)19(24)12-22-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-5,15-18,22H,6-10,12-13H2.
What are the key properties of 4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile?
4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 329.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[2-[(4-phenylcyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 21090367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).