N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide

C24H27F3N2O2 — CID 67478861

IUPACN-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide
SMILESC[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc2)C1
InChIInChI=1S/C24H27F3N2O2/c1-16-5-4-14-29(16)20-13-10-18(15-20)17-8-11-19(12-9-17)28-23(30)21-6-2-3-7-22(21)31-24(25,26)27/h2-3,6-9,11-12,16,18,20H,4-5,10,13-15H2,1H3,(H,28,30)/t16-,18-,20-/m0/s1
InChIKeyWUVPDSIVRZJNIG-QRFRQXIXSA-N
MW432.49 g/mol
LogP5.96
Rot. Bonds5

About N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide

N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide (PubChem CID 67478861) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide
PubChem CID67478861
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide
SMILESC[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc2)C1
InChIInChI=1S/C24H27F3N2O2/c1-16-5-4-14-29(16)20-13-10-18(15-20)17-8-11-19(12-9-17)28-23(30)21-6-2-3-7-22(21)31-24(25,26)27/h2-3,6-9,11-12,16,18,20H,4-5,10,13-15H2,1H3,(H,28,30)/t16-,18-,20-/m0/s1
InChIKeyWUVPDSIVRZJNIG-QRFRQXIXSA-N
XLogP5.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(dimethylamino)-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide (CID 67478861) is N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide is C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc2)C1.
What is the InChIKey of N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is WUVPDSIVRZJNIG-QRFRQXIXSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c1-16-5-4-14-29(16)20-13-10-18(15-20)17-8-11-19(12-9-17)28-23(30)21-6-2-3-7-22(21)31-24(25,26)27/h2-3,6-9,11-12,16,18,20H,4-5,10,13-15H2,1H3,(H,28,30)/t16-,18-,20-/m0/s1.
What are the key properties of N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide?
N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 432.49 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 67478861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).