N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

C21H25FN2O2 — CID 51474720

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C21H25FN2O2/c1-15(16-8-10-18(22)11-9-16)23-21(25)14-24-12-4-7-20(24)17-5-3-6-19(13-17)26-2/h3,5-6,8-11,13,15,20H,4,7,12,14H2,1-2H3,(H,23,25)/t15-,20-/m1/s1
InChIKeyJWDGLKJAHHKIRI-FOIQADDNSA-N
MW356.44 g/mol
LogP3.85
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 51474720) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID51474720
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C21H25FN2O2/c1-15(16-8-10-18(22)11-9-16)23-21(25)14-24-12-4-7-20(24)17-5-3-6-19(13-17)26-2/h3,5-6,8-11,13,15,20H,4,7,12,14H2,1-2H3,(H,23,25)/t15-,20-/m1/s1
InChIKeyJWDGLKJAHHKIRI-FOIQADDNSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 124741942
N-[2-(difluoromethoxy)phenyl]-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313371
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41416275
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 55498802
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41269116
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol
CID 92817655
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (CID 51474720) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is COc1cccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is JWDGLKJAHHKIRI-FOIQADDNSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15(16-8-10-18(22)11-9-16)23-21(25)14-24-12-4-7-20(24)17-5-3-6-19(13-17)26-2/h3,5-6,8-11,13,15,20H,4,7,12,14H2,1-2H3,(H,23,25)/t15-,20-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 356.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 51474720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).