1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide

C23H29F3N2O2 — CID 166319702

IUPAC1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CCCN1C(=O)C1CCCC1
InChIInChI=1S/C23H29F3N2O2/c24-23(25,26)17-12-10-15(11-13-17)18-7-3-8-19(18)27-21(29)20-9-4-14-28(20)22(30)16-5-1-2-6-16/h10-13,16,18-20H,1-9,14H2,(H,27,29)/t18-,19+,20?/m0/s1
InChIKeyMHCDKJCLCVGPAU-ABZYKWASSA-N
MW422.49 g/mol
LogP4.64
Rot. Bonds4

About 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide

1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide (PubChem CID 166319702) has the molecular formula C23H29F3N2O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide
PubChem CID166319702
Molecular FormulaC23H29F3N2O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC Name1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CCCN1C(=O)C1CCCC1
InChIInChI=1S/C23H29F3N2O2/c24-23(25,26)17-12-10-15(11-13-17)18-7-3-8-19(18)27-21(29)20-9-4-14-28(20)22(30)16-5-1-2-6-16/h10-13,16,18-20H,1-9,14H2,(H,27,29)/t18-,19+,20?/m0/s1
InChIKeyMHCDKJCLCVGPAU-ABZYKWASSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
CID 136581485
(2R)-1-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125150918
(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 110285809
1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 55741414
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide
CID 123946452
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
(2R)-1-[(3S)-1-(3,3-difluoropyrrolidin-1-yl)sulfonylpiperidine-3-carbonyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 138472808
(2R)-1-[(3S)-1-(3,3-difluoroazetidin-1-yl)sulfonylpiperidine-3-carbonyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 138466448
1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 110860923
(2R)-1-[(3S)-1-[(2R)-2-phenylazetidin-1-yl]sulfonylpiperidine-3-carbonyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 142544991
1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 150068062

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide (CID 166319702) is 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide is O=C(N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CCCN1C(=O)C1CCCC1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide?
The InChIKey is MHCDKJCLCVGPAU-ABZYKWASSA-N. The full InChI is InChI=1S/C23H29F3N2O2/c24-23(25,26)17-12-10-15(11-13-17)18-7-3-8-19(18)27-21(29)20-9-4-14-28(20)22(30)16-5-1-2-6-16/h10-13,16,18-20H,1-9,14H2,(H,27,29)/t18-,19+,20?/m0/s1.
What are the key properties of 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide?
1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166319702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).