2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

C16H23FN2O2 — CID 83064202

IUPAC2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC(C)c2ccc(OC)c(F)c2)CCCN1
InChIInChI=1S/C16H23FN2O2/c1-4-16(8-5-9-18-16)15(20)19-11(2)12-6-7-14(21-3)13(17)10-12/h6-7,10-11,18H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyYUSWXPMSBUCFMP-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.54
Rot. Bonds5

About 2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 83064202) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID83064202
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC(C)c2ccc(OC)c(F)c2)CCCN1
InChIInChI=1S/C16H23FN2O2/c1-4-16(8-5-9-18-16)15(20)19-11(2)12-6-7-14(21-3)13(17)10-12/h6-7,10-11,18H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyYUSWXPMSBUCFMP-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83072179
N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide
CID 83063094
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83080607
2-ethyl-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 83080528
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 125443369
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600
2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 81171953
(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81124863
methyl (2S)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylbutanoate
CID 83071488
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83062927

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 83064202) is 2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is CCC1(C(=O)NC(C)c2ccc(OC)c(F)c2)CCCN1.
What is the InChIKey of 2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is YUSWXPMSBUCFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-16(8-5-9-18-16)15(20)19-11(2)12-6-7-14(21-3)13(17)10-12/h6-7,10-11,18H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of 2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83064202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).