ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate

C22H25FN2O3 — CID 47019495

IUPACethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CN1CCCC1c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H25FN2O3/c1-2-28-22(27)16-25(19-7-4-3-5-8-19)21(26)15-24-14-6-9-20(24)17-10-12-18(23)13-11-17/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3
InChIKeySYVFLIRNMBNSPH-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.56
Rot. Bonds7

About ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate

ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate (PubChem CID 47019495) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
PubChem CID47019495
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Nameethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CN1CCCC1c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H25FN2O3/c1-2-28-22(27)16-25(19-7-4-3-5-8-19)21(26)15-24-14-6-9-20(24)17-10-12-18(23)13-11-17/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3
InChIKeySYVFLIRNMBNSPH-UHFFFAOYSA-N
XLogP3.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate
CID 47014049
ethyl 2-(N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
CID 41376222
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 47019475
ethyl 1-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47019473
N-(2-cyanoethyl)-2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]-N-phenylacetamide
CID 51728114
ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate
CID 55445563
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-ethyl-N-phenylacetamide
CID 47014042
ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate
CID 55355208
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate
CID 55324833
N-ethyl-N-(4-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62732355
N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942428

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate (CID 47019495) is ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate is CCOC(=O)CN(C(=O)CN1CCCC1c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate?
The InChIKey is SYVFLIRNMBNSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-2-28-22(27)16-25(19-7-4-3-5-8-19)21(26)15-24-14-6-9-20(24)17-10-12-18(23)13-11-17/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3.
What are the key properties of ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate?
ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate has a molecular weight of 384.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate is sourced from PubChem (CID 47019495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).