N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide

C23H26FN3O2 — CID 47010684

IUPACN-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCCOc1ccc(C2CCCN2CC(=O)N(CCC#N)c2ccccc2F)cc1
InChIInChI=1S/C23H26FN3O2/c1-2-29-19-12-10-18(11-13-19)21-9-5-15-26(21)17-23(28)27(16-6-14-25)22-8-4-3-7-20(22)24/h3-4,7-8,10-13,21H,2,5-6,9,15-17H2,1H3
InChIKeyJFHFQNMLEKGTMY-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.31
Rot. Bonds8

About N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide

N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 47010684) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID47010684
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCCOc1ccc(C2CCCN2CC(=O)N(CCC#N)c2ccccc2F)cc1
InChIInChI=1S/C23H26FN3O2/c1-2-29-19-12-10-18(11-13-19)21-9-5-15-26(21)17-23(28)27(16-6-14-25)22-8-4-3-7-20(22)24/h3-4,7-8,10-13,21H,2,5-6,9,15-17H2,1H3
InChIKeyJFHFQNMLEKGTMY-UHFFFAOYSA-N
XLogP4.31
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]-N-phenylacetamide
CID 51728114
N-(2-cyanoethyl)-2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 39973526
N,N-bis(2-cyanoethyl)-2-[2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 60570471
N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 87014367
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 47014126
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 24613826
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 35721181
N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 52621407
ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
CID 47019495
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 24565043
1-[2-[N-(2-cyanoethyl)-2,3-dimethylanilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 87013528
ethyl 6-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24567953

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 47010684) is N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide is CCOc1ccc(C2CCCN2CC(=O)N(CCC#N)c2ccccc2F)cc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is JFHFQNMLEKGTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-2-29-19-12-10-18(11-13-19)21-9-5-15-26(21)17-23(28)27(16-6-14-25)22-8-4-3-7-20(22)24/h3-4,7-8,10-13,21H,2,5-6,9,15-17H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide?
N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 395.48 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 47010684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).