N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide

C26H35FN2O — CID 42870295

IUPACN-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCc1ccccc1C1CN(Cc2ccc(F)cc2)CC1CN(C(=O)C(C)C)C(C)C
InChIInChI=1S/C26H35FN2O/c1-18(2)26(30)29(19(3)4)16-22-15-28(14-21-10-12-23(27)13-11-21)17-25(22)24-9-7-6-8-20(24)5/h6-13,18-19,22,25H,14-17H2,1-5H3
InChIKeyAJMDYJNNUSSCII-UHFFFAOYSA-N
MW410.58 g/mol
LogP5.24
Rot. Bonds7

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

N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide (PubChem CID 42870295) has the molecular formula C26H35FN2O and a molecular weight of 410.58 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
PubChem CID42870295
Molecular FormulaC26H35FN2O
Molecular Weight410.58 g/mol
Exact Mass410.27
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCc1ccccc1C1CN(Cc2ccc(F)cc2)CC1CN(C(=O)C(C)C)C(C)C
InChIInChI=1S/C26H35FN2O/c1-18(2)26(30)29(19(3)4)16-22-15-28(14-21-10-12-23(27)13-11-21)17-25(22)24-9-7-6-8-20(24)5/h6-13,18-19,22,25H,14-17H2,1-5H3
InChIKeyAJMDYJNNUSSCII-UHFFFAOYSA-N
XLogP5.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[[(3S,4S)-1-[(2-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 98705700
N-[[(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992335
N-[[(3S,4R)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 98634977
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
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-[[4-(2-methylphenyl)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46062879
N-[[(3R,4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 93001186
N-[[4-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 42870210
N-[[4-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 42870209
N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 42870331
N-(2-methoxyethyl)-2-methyl-N-[[4-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 42870093

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide (CID 42870295) is N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide is Cc1ccccc1C1CN(Cc2ccc(F)cc2)CC1CN(C(=O)C(C)C)C(C)C.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is AJMDYJNNUSSCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O/c1-18(2)26(30)29(19(3)4)16-22-15-28(14-21-10-12-23(27)13-11-21)17-25(22)24-9-7-6-8-20(24)5/h6-13,18-19,22,25H,14-17H2,1-5H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 410.58 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 42870295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).