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

C24H31FN2O2 — CID 42870044

IUPACN-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(C)C)CC1CN(Cc2ccccc2O)CC1c1cccc(F)c1
InChIInChI=1S/C24H31FN2O2/c1-17(2)12-27(18(3)28)15-21-14-26(13-20-7-4-5-10-24(20)29)16-23(21)19-8-6-9-22(25)11-19/h4-11,17,21,23,29H,12-16H2,1-3H3
InChIKeyLHGGYPRKWRBFNH-UHFFFAOYSA-N
MW398.52 g/mol
LogP4.25
Rot. Bonds7

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

N-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide (PubChem CID 42870044) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
PubChem CID42870044
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC NameN-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CC(C)C)CC1CN(Cc2ccccc2O)CC1c1cccc(F)c1
InChIInChI=1S/C24H31FN2O2/c1-17(2)12-27(18(3)28)15-21-14-26(13-20-7-4-5-10-24(20)29)16-23(21)19-8-6-9-22(25)11-19/h4-11,17,21,23,29H,12-16H2,1-3H3
InChIKeyLHGGYPRKWRBFNH-UHFFFAOYSA-N
XLogP4.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 42847863
N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42847917
N-[[4-(3-fluorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 46037212
N-[[(3S,4R)-4-(3-methoxyphenyl)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 129446905
N-[[1-[(2-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42847924
4-fluoro-N-[[1-[(2-hydroxyphenyl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42864102
N-[[4-(3-fluorophenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42870055
N-[[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 129446757
N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42847919
4-fluoro-N-[[(3R,4S)-1-[(2-hydroxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992657
4-fluoro-N-[[(3S,4R)-4-(3-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 129428861
N-[[(3S,4S)-4-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 93324085

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide (CID 42870044) is N-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide is CC(=O)N(CC(C)C)CC1CN(Cc2ccccc2O)CC1c1cccc(F)c1.
What is the InChIKey of N-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide?
The InChIKey is LHGGYPRKWRBFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-17(2)12-27(18(3)28)15-21-14-26(13-20-7-4-5-10-24(20)29)16-23(21)19-8-6-9-22(25)11-19/h4-11,17,21,23,29H,12-16H2,1-3H3.
What are the key properties of N-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide?
N-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide has a molecular weight of 398.52 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 42870044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).