N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide

C31H35FN2O — CID 42863586

IUPACN-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
SMILESO=C(c1ccccc1)N(CC1CN(Cc2ccccc2)CC1c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C31H35FN2O/c32-28-16-10-15-26(19-28)30-23-33(20-24-11-4-1-5-12-24)21-27(30)22-34(29-17-8-3-9-18-29)31(35)25-13-6-2-7-14-25/h1-2,4-7,10-16,19,27,29-30H,3,8-9,17-18,20-23H2
InChIKeyLYSPRSJMLYZKMW-UHFFFAOYSA-N
MW470.63 g/mol
LogP6.52
Rot. Bonds7

About N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide

N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide (PubChem CID 42863586) has the molecular formula C31H35FN2O and a molecular weight of 470.63 g/mol. Its IUPAC name is N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide.

Molecular Properties

Compound NameN-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
PubChem CID42863586
Molecular FormulaC31H35FN2O
Molecular Weight470.63 g/mol
Exact Mass470.27
IUPAC NameN-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
SMILESO=C(c1ccccc1)N(CC1CN(Cc2ccccc2)CC1c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C31H35FN2O/c32-28-16-10-15-26(19-28)30-23-33(20-24-11-4-1-5-12-24)21-27(30)22-34(29-17-8-3-9-18-29)31(35)25-13-6-2-7-14-25/h1-2,4-7,10-16,19,27,29-30H,3,8-9,17-18,20-23H2
InChIKeyLYSPRSJMLYZKMW-UHFFFAOYSA-N
XLogP6.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.63
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 92992411
N-cyclohexyl-N-[[(3R,4S)-1-[(2-hydroxyphenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]benzamide
CID 92992533
N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
CID 42863591
N-[[1-benzyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexyl-2-fluorobenzamide
CID 42863594
N-cyclohexyl-N-[[(3S,4R)-1-[[4-(dimethylamino)phenyl]methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 98634851
N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 46062928
N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42847919
N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42847917
N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 42863981
N-[[1-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-methylcyclohexanamine
CID 42867071
N-cyclohexyl-N-[[(3S,4S)-1-(cyclopropylmethyl)-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 129427567
N-cyclohexyl-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 129427225

Frequently Asked Questions

What is the IUPAC name of N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide?
The IUPAC name of N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide (CID 42863586) is N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide.
What is the SMILES notation for N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide?
The canonical SMILES for N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide is O=C(c1ccccc1)N(CC1CN(Cc2ccccc2)CC1c1cccc(F)c1)C1CCCCC1.
What is the InChIKey of N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide?
The InChIKey is LYSPRSJMLYZKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN2O/c32-28-16-10-15-26(19-28)30-23-33(20-24-11-4-1-5-12-24)21-27(30)22-34(29-17-8-3-9-18-29)31(35)25-13-6-2-7-14-25/h1-2,4-7,10-16,19,27,29-30H,3,8-9,17-18,20-23H2.
What are the key properties of N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide?
N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide has a molecular weight of 470.63 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide is sourced from PubChem (CID 42863586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).