N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide

C19H23FN4O — CID 47070629

IUPACN,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C19H23FN4O/c20-17-6-1-5-16(13-17)14-18-7-2-10-24(18)15-19(25)23(11-3-8-21)12-4-9-22/h1,5-6,13,18H,2-4,7,10-12,14-15H2
InChIKeyORVOLNFCVXQDLL-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.49
Rot. Bonds8

About N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide

N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide (PubChem CID 47070629) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide
PubChem CID47070629
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C19H23FN4O/c20-17-6-1-5-16(13-17)14-18-7-2-10-24(18)15-19(25)23(11-3-8-21)12-4-9-22/h1,5-6,13,18H,2-4,7,10-12,14-15H2
InChIKeyORVOLNFCVXQDLL-UHFFFAOYSA-N
XLogP2.49
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide (CID 47070629) is N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide is N#CCCN(CCC#N)C(=O)CN1CCCC1Cc1cccc(F)c1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is ORVOLNFCVXQDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-17-6-1-5-16(13-17)14-18-7-2-10-24(18)15-19(25)23(11-3-8-21)12-4-9-22/h1,5-6,13,18H,2-4,7,10-12,14-15H2.
What are the key properties of N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide?
N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 47070629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).