N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide

C15H20F2N2O2 — CID 71041228

IUPACN-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide
SMILESCOCCN1C[C@@H](NC(C)=O)[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H20F2N2O2/c1-10(20)18-15-9-19(5-6-21-2)8-12(15)11-3-4-13(16)14(17)7-11/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,18,20)/t12-,15+/m0/s1
InChIKeyFQTPIHWCWNNAPU-SWLSCSKDSA-N
MW298.33 g/mol
LogP1.52
Rot. Bonds5

About N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide (PubChem CID 71041228) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide
PubChem CID71041228
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide
SMILESCOCCN1C[C@@H](NC(C)=O)[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H20F2N2O2/c1-10(20)18-15-9-19(5-6-21-2)8-12(15)11-3-4-13(16)14(17)7-11/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,18,20)/t12-,15+/m0/s1
InChIKeyFQTPIHWCWNNAPU-SWLSCSKDSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide (CID 71041228) is N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide is COCCN1C[C@@H](NC(C)=O)[C@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is FQTPIHWCWNNAPU-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10(20)18-15-9-19(5-6-21-2)8-12(15)11-3-4-13(16)14(17)7-11/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,18,20)/t12-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 298.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71041228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).