N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide

C32H36F2N2O — CID 42863981

IUPACN-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1ccccc1C1CN(Cc2ccccc2F)CC1CN(C(=O)c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C32H36F2N2O/c1-23-9-5-7-13-29(23)30-22-35(19-25-10-6-8-14-31(25)34)20-26(30)21-36(28-11-3-2-4-12-28)32(37)24-15-17-27(33)18-16-24/h5-10,13-18,26,28,30H,2-4,11-12,19-22H2,1H3
InChIKeyWSNZXADOXRNAAH-UHFFFAOYSA-N
MW502.65 g/mol
LogP6.96
Rot. Bonds7

About N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide

N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 42863981) has the molecular formula C32H36F2N2O and a molecular weight of 502.65 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID42863981
Molecular FormulaC32H36F2N2O
Molecular Weight502.65 g/mol
Exact Mass502.28
IUPAC NameN-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1ccccc1C1CN(Cc2ccccc2F)CC1CN(C(=O)c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C32H36F2N2O/c1-23-9-5-7-13-29(23)30-22-35(19-25-10-6-8-14-31(25)34)20-26(30)21-36(28-11-3-2-4-12-28)32(37)24-15-17-27(33)18-16-24/h5-10,13-18,26,28,30H,2-4,11-12,19-22H2,1H3
InChIKeyWSNZXADOXRNAAH-UHFFFAOYSA-N
XLogP6.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.65
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 46062928
N-cyclohexyl-4-fluoro-N-[[(3S,4R)-4-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 100900420
4-fluoro-N-[[(3S,4S)-1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 98705700
N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
CID 42863591
N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 92992411
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
N-cyclohexyl-N-[[(3S,4R)-1-[[4-(dimethylamino)phenyl]methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 98634851
N-cyclohexyl-N-[[(3R,4S)-1-[(2-hydroxyphenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]benzamide
CID 92992533
4-fluoro-N-[[(3R,4R)-4-(2-methylphenyl)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992315
4-fluoro-N-[[1-(2-hydroxypropyl)-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46063146
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-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (CID 42863981) is N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is Cc1ccccc1C1CN(Cc2ccccc2F)CC1CN(C(=O)c1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is WSNZXADOXRNAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F2N2O/c1-23-9-5-7-13-29(23)30-22-35(19-25-10-6-8-14-31(25)34)20-26(30)21-36(28-11-3-2-4-12-28)32(37)24-15-17-27(33)18-16-24/h5-10,13-18,26,28,30H,2-4,11-12,19-22H2,1H3.
What are the key properties of N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 502.65 g/mol, XLogP of 6.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 42863981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).