2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide

C19H25F3N2O — CID 162560127

IUPAC2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(F)F)cc(C)c1C(=O)NC1CCC[C@H]1N1CCCC1
InChIInChI=1S/C19H25F3N2O/c1-12-10-14(19(20,21)22)11-13(2)17(12)18(25)23-15-6-5-7-16(15)24-8-3-4-9-24/h10-11,15-16H,3-9H2,1-2H3,(H,23,25)/t15?,16-/m1/s1
InChIKeyMYLMBYZMGLXGHV-OEMAIJDKSA-N
MW354.42 g/mol
LogP4.07
Rot. Bonds3

About 2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide

2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide (PubChem CID 162560127) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide
PubChem CID162560127
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(F)F)cc(C)c1C(=O)NC1CCC[C@H]1N1CCCC1
InChIInChI=1S/C19H25F3N2O/c1-12-10-14(19(20,21)22)11-13(2)17(12)18(25)23-15-6-5-7-16(15)24-8-3-4-9-24/h10-11,15-16H,3-9H2,1-2H3,(H,23,25)/t15?,16-/m1/s1
InChIKeyMYLMBYZMGLXGHV-OEMAIJDKSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide
CID 58062892
2,6-dimethyl-N-[(4S)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
CID 162560705
2-cyclopropyl-6-methoxy-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide
CID 51001234
2-methyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 53339572
2-methylsulfanyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide
CID 51000590
2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
CID 67359855
N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]-2,4-bis(trifluoromethyl)benzamide
CID 58063002
2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
CID 51001073
methane;2-methylsulfanyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide;2-methylsulfanyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
CID 160548486
bis(2-cyclopropyl-N-(4-pyrrolidin-1-yloxan-3-yl)-4-(trifluoromethyl)benzamide);2-methyl-N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 87377616
4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide
CID 66681471
2-methylsulfanyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 87369227

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide (CID 162560127) is 2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide is Cc1cc(C(F)(F)F)cc(C)c1C(=O)NC1CCC[C@H]1N1CCCC1.
What is the InChIKey of 2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MYLMBYZMGLXGHV-OEMAIJDKSA-N. The full InChI is InChI=1S/C19H25F3N2O/c1-12-10-14(19(20,21)22)11-13(2)17(12)18(25)23-15-6-5-7-16(15)24-8-3-4-9-24/h10-11,15-16H,3-9H2,1-2H3,(H,23,25)/t15?,16-/m1/s1.
What are the key properties of 2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide?
2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide has a molecular weight of 354.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 162560127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).