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

C21H26F2N2O3 — CID 136581485

IUPAC1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C1CCCN1C(=O)C1CCCC1
InChIInChI=1S/C21H26F2N2O3/c22-21(23)28-15-9-7-13(8-10-15)16-12-17(16)24-19(26)18-6-3-11-25(18)20(27)14-4-1-2-5-14/h7-10,14,16-18,21H,1-6,11-12H2,(H,24,26)/t16-,17+,18?/m0/s1
InChIKeyRLKLWRONSZYSJF-MYFVLZFPSA-N
MW392.45 g/mol
LogP3.44
Rot. Bonds6

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

1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide (PubChem CID 136581485) has the molecular formula C21H26F2N2O3 and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
PubChem CID136581485
Molecular FormulaC21H26F2N2O3
Molecular Weight392.45 g/mol
Exact Mass392.19
IUPAC Name1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C1CCCN1C(=O)C1CCCC1
InChIInChI=1S/C21H26F2N2O3/c22-21(23)28-15-9-7-13(8-10-15)16-12-17(16)24-19(26)18-6-3-11-25(18)20(27)14-4-1-2-5-14/h7-10,14,16-18,21H,1-6,11-12H2,(H,24,26)/t16-,17+,18?/m0/s1
InChIKeyRLKLWRONSZYSJF-MYFVLZFPSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide (CID 136581485) is 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide is O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C1CCCN1C(=O)C1CCCC1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide?
The InChIKey is RLKLWRONSZYSJF-MYFVLZFPSA-N. The full InChI is InChI=1S/C21H26F2N2O3/c22-21(23)28-15-9-7-13(8-10-15)16-12-17(16)24-19(26)18-6-3-11-25(18)20(27)14-4-1-2-5-14/h7-10,14,16-18,21H,1-6,11-12H2,(H,24,26)/t16-,17+,18?/m0/s1.
What are the key properties of 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide?
1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 136581485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).