N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

C18H20F2N2O2 — CID 70773384

IUPACN-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C18H20F2N2O2/c1-11-3-6-18(24-11)15-9-22(10-17(15)21-12(2)23)8-13-4-5-14(19)7-16(13)20/h3-7,15,17H,8-10H2,1-2H3,(H,21,23)/t15-,17-/m1/s1
InChIKeyBAIYPZMCVOZCJF-NVXWUHKLSA-N
MW334.37 g/mol
LogP2.97
Rot. Bonds4

About N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 70773384) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID70773384
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C18H20F2N2O2/c1-11-3-6-18(24-11)15-9-22(10-17(15)21-12(2)23)8-13-4-5-14(19)7-16(13)20/h3-7,15,17H,8-10H2,1-2H3,(H,21,23)/t15-,17-/m1/s1
InChIKeyBAIYPZMCVOZCJF-NVXWUHKLSA-N
XLogP2.97
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 44395554
CID 44395554
CID 827173
CID 827173
CID 11559300
CID 11559300
CID 11566266
CID 11566266
CID 25057647
CID 25057647
CID 45267611
CID 45267611
CID 4253008
CID 4253008
CID 4883721
CID 4883721
CID 16060517
CID 16060517
CID 44143892
CID 44143892
CID 44395512
CID 44395512
CID 118722749
CID 118722749

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (CID 70773384) is N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is BAIYPZMCVOZCJF-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-11-3-6-18(24-11)15-9-22(10-17(15)21-12(2)23)8-13-4-5-14(19)7-16(13)20/h3-7,15,17H,8-10H2,1-2H3,(H,21,23)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 334.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70773384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).