N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide

C16H23FN2O2 — CID 122558971

IUPACN-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide
SMILESCCOc1ccc(C(C)NC(=O)CN2CCCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-3-21-15-7-6-13(10-14(15)17)12(2)18-16(20)11-19-8-4-5-9-19/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,20)
InChIKeyRZARGOHYXQIHTR-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.50
Rot. Bonds6

About N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide

N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 122558971) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide
PubChem CID122558971
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide
SMILESCCOc1ccc(C(C)NC(=O)CN2CCCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-3-21-15-7-6-13(10-14(15)17)12(2)18-16(20)11-19-8-4-5-9-19/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,20)
InChIKeyRZARGOHYXQIHTR-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 125443369
2-(azocan-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8583647
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122569948
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 46820742
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 8795097
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9162188
ethyl 4-[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932049
ethyl 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931323
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide (CID 122558971) is N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide is CCOc1ccc(C(C)NC(=O)CN2CCCC2)cc1F.
What is the InChIKey of N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is RZARGOHYXQIHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-21-15-7-6-13(10-14(15)17)12(2)18-16(20)11-19-8-4-5-9-19/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide?
N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 294.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 122558971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).