N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide

C26H29FN2O3 — CID 129426647

IUPACN-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCOc1ccc([C@@H]2CN(Cc3ccco3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C26H29FN2O3/c1-19(30)29(14-20-5-9-23(27)10-6-20)16-22-15-28(17-25-4-3-13-32-25)18-26(22)21-7-11-24(31-2)12-8-21/h3-13,22,26H,14-18H2,1-2H3/t22-,26-/m0/s1
InChIKeyNHQQEBDVIDPHDH-NVQXNPDNSA-N
MW436.53 g/mol
LogP4.69
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide

N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 129426647) has the molecular formula C26H29FN2O3 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID129426647
Molecular FormulaC26H29FN2O3
Molecular Weight436.53 g/mol
Exact Mass436.22
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCOc1ccc([C@@H]2CN(Cc3ccco3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C26H29FN2O3/c1-19(30)29(14-20-5-9-23(27)10-6-20)16-22-15-28(17-25-4-3-13-32-25)18-26(22)21-7-11-24(31-2)12-8-21/h3-13,22,26H,14-18H2,1-2H3/t22-,26-/m0/s1
InChIKeyNHQQEBDVIDPHDH-NVQXNPDNSA-N
XLogP4.69
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S,4R)-1-[(4,5-dimethylfuran-2-yl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 92992817
N-[[(3R,4R)-1-[(4,5-dimethylfuran-2-yl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 92992816
N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42864244
N-[[4-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 42870209
N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 42870024
4-fluoro-N-[[1-[(2-hydroxyphenyl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42864102
N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 93000939
N-[[(3R,4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 129428610
N-[[(3R,4S)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 93001016
4-fluoro-N-[[4-(4-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46063028
N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42870385
4-fluoro-N-[[(3S,4S)-1-(furan-2-ylmethyl)-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 98634893

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide (CID 129426647) is N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide is COc1ccc([C@@H]2CN(Cc3ccco3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is NHQQEBDVIDPHDH-NVQXNPDNSA-N. The full InChI is InChI=1S/C26H29FN2O3/c1-19(30)29(14-20-5-9-23(27)10-6-20)16-22-15-28(17-25-4-3-13-32-25)18-26(22)21-7-11-24(31-2)12-8-21/h3-13,22,26H,14-18H2,1-2H3/t22-,26-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide?
N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 436.53 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 129426647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).