N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide

C32H37FN2O2 — CID 42863594

IUPACN-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide
SMILESCOc1cccc(C2CN(Cc3ccccc3)CC2CN(C(=O)c2ccccc2F)C2CCCCC2)c1
InChIInChI=1S/C32H37FN2O2/c1-37-28-16-10-13-25(19-28)30-23-34(20-24-11-4-2-5-12-24)21-26(30)22-35(27-14-6-3-7-15-27)32(36)29-17-8-9-18-31(29)33/h2,4-5,8-13,16-19,26-27,30H,3,6-7,14-15,20-23H2,1H3
InChIKeyZAYGXAHWVLWUOZ-UHFFFAOYSA-N
MW500.66 g/mol
LogP6.53
Rot. Bonds8

About N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide

N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide (PubChem CID 42863594) has the molecular formula C32H37FN2O2 and a molecular weight of 500.66 g/mol. Its IUPAC name is N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide
PubChem CID42863594
Molecular FormulaC32H37FN2O2
Molecular Weight500.66 g/mol
Exact Mass500.28
IUPAC NameN-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide
SMILESCOc1cccc(C2CN(Cc3ccccc3)CC2CN(C(=O)c2ccccc2F)C2CCCCC2)c1
InChIInChI=1S/C32H37FN2O2/c1-37-28-16-10-13-25(19-28)30-23-34(20-24-11-4-2-5-12-24)21-26(30)22-35(27-14-6-3-7-15-27)32(36)29-17-8-9-18-31(29)33/h2,4-5,8-13,16-19,26-27,30H,3,6-7,14-15,20-23H2,1H3
InChIKeyZAYGXAHWVLWUOZ-UHFFFAOYSA-N
XLogP6.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.66
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
CID 42863586
N-[[1-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-methylcyclohexanamine
CID 42867071
N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42870371
N-[[1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-methylpropanamide
CID 42870372
N-cyclohexyl-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42870360
(3S,4R)-1-benzyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 57356373
N-cyclohexyl-N-[[1-[(4,5-dimethylfuran-2-yl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42870361
N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 92992411
N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
CID 42863591
N-[[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 129446757
N-[[1-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 46071718
N-cyclohexyl-N-[[(3R,4S)-1-[(2-hydroxyphenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]benzamide
CID 92992533

Frequently Asked Questions

What is the IUPAC name of N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide?
The IUPAC name of N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide (CID 42863594) is N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide.
What is the SMILES notation for N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide?
The canonical SMILES for N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide is COc1cccc(C2CN(Cc3ccccc3)CC2CN(C(=O)c2ccccc2F)C2CCCCC2)c1.
What is the InChIKey of N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide?
The InChIKey is ZAYGXAHWVLWUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN2O2/c1-37-28-16-10-13-25(19-28)30-23-34(20-24-11-4-2-5-12-24)21-26(30)22-35(27-14-6-3-7-15-27)32(36)29-17-8-9-18-31(29)33/h2,4-5,8-13,16-19,26-27,30H,3,6-7,14-15,20-23H2,1H3.
What are the key properties of N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide?
N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide has a molecular weight of 500.66 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide is sourced from PubChem (CID 42863594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).