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

C32H37FN2O — CID 46062928

IUPACN-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1ccccc1C1CN(Cc2ccccc2F)CC1CN(C(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C32H37FN2O/c1-24-12-8-10-18-29(24)30-23-34(20-26-15-9-11-19-31(26)33)21-27(30)22-35(28-16-6-3-7-17-28)32(36)25-13-4-2-5-14-25/h2,4-5,8-15,18-19,27-28,30H,3,6-7,16-17,20-23H2,1H3
InChIKeyWKPVCXXRLAMWQM-UHFFFAOYSA-N
MW484.66 g/mol
LogP6.82
Rot. Bonds7

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

N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 46062928) has the molecular formula C32H37FN2O and a molecular weight of 484.66 g/mol. Its IUPAC name is N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID46062928
Molecular FormulaC32H37FN2O
Molecular Weight484.66 g/mol
Exact Mass484.29
IUPAC NameN-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1ccccc1C1CN(Cc2ccccc2F)CC1CN(C(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C32H37FN2O/c1-24-12-8-10-18-29(24)30-23-34(20-26-15-9-11-19-31(26)33)21-27(30)22-35(28-16-6-3-7-17-28)32(36)25-13-4-2-5-14-25/h2,4-5,8-15,18-19,27-28,30H,3,6-7,16-17,20-23H2,1H3
InChIKeyWKPVCXXRLAMWQM-UHFFFAOYSA-N
XLogP6.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.66
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-fluoro-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 42863981
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-[[4-(dimethylamino)phenyl]methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 98634851
N-cyclohexyl-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 129427225
N-cyclohexyl-4-fluoro-N-[[(3S,4R)-4-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 100900420
N-cyclohexyl-N-[[(3R,4S)-1-[(2-hydroxyphenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]benzamide
CID 92992533
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-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-N-cyclohexylbenzamide
CID 42863586
N-cyclopropyl-3-methyl-N-[[4-(2-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 42864184
N-[[(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992335

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (CID 46062928) is N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is Cc1ccccc1C1CN(Cc2ccccc2F)CC1CN(C(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is WKPVCXXRLAMWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN2O/c1-24-12-8-10-18-29(24)30-23-34(20-26-15-9-11-19-31(26)33)21-27(30)22-35(28-16-6-3-7-17-28)32(36)25-13-4-2-5-14-25/h2,4-5,8-15,18-19,27-28,30H,3,6-7,16-17,20-23H2,1H3.
What are the key properties of N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 484.66 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 46062928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).