N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide

C25H33FN2O — CID 42847863

IUPACN-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(C)C)CC1CN(Cc2ccccc2F)CC1c1ccc(C)cc1
InChIInChI=1S/C25H33FN2O/c1-18(2)13-28(20(4)29)16-23-15-27(14-22-7-5-6-8-25(22)26)17-24(23)21-11-9-19(3)10-12-21/h5-12,18,23-24H,13-17H2,1-4H3
InChIKeyFXSFRMWIQFSPLQ-UHFFFAOYSA-N
MW396.55 g/mol
LogP4.85
Rot. Bonds7

About N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide

N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide (PubChem CID 42847863) has the molecular formula C25H33FN2O and a molecular weight of 396.55 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
PubChem CID42847863
Molecular FormulaC25H33FN2O
Molecular Weight396.55 g/mol
Exact Mass396.26
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(C)C)CC1CN(Cc2ccccc2F)CC1c1ccc(C)cc1
InChIInChI=1S/C25H33FN2O/c1-18(2)13-28(20(4)29)16-23-15-27(14-22-7-5-6-8-25(22)26)17-24(23)21-11-9-19(3)10-12-21/h5-12,18,23-24H,13-17H2,1-4H3
InChIKeyFXSFRMWIQFSPLQ-UHFFFAOYSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42847864
N-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 42870044
N-[[1-[(2-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42847924
N-[[(3R,4R)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 93000939
4-fluoro-N-[[1-[(2-hydroxyphenyl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42864102
N-[[(3S,4R)-4-(3-methoxyphenyl)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 129446905
4-methyl-N-(2-methylpropyl)-N-[[(3R,4R)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]benzamide
CID 129427944
4-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46062966
2-fluoro-N-(2-methylpropyl)-N-[[4-phenyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 46062975
N-[(3S,4R)-1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70718143
N-[[1-[[4-(dimethylamino)phenyl]methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42870011
N-[[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 129446757

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide (CID 42847863) is N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide is CC(=O)N(CC(C)C)CC1CN(Cc2ccccc2F)CC1c1ccc(C)cc1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide?
The InChIKey is FXSFRMWIQFSPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O/c1-18(2)13-28(20(4)29)16-23-15-27(14-22-7-5-6-8-25(22)26)17-24(23)21-11-9-19(3)10-12-21/h5-12,18,23-24H,13-17H2,1-4H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide?
N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide has a molecular weight of 396.55 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 42847863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).