N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide

C19H19F2N3O2 — CID 134800390

IUPACN-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)F)C1CCCN1C(=O)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C19H19F2N3O2/c20-17(21)12-23-18(25)16-8-4-10-24(16)19(26)14-6-3-5-13(11-14)15-7-1-2-9-22-15/h1-3,5-7,9,11,16-17H,4,8,10,12H2,(H,23,25)
InChIKeyDQWHXXDCCPJQEU-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.73
Rot. Bonds5

About N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide

N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 134800390) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID134800390
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)F)C1CCCN1C(=O)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C19H19F2N3O2/c20-17(21)12-23-18(25)16-8-4-10-24(16)19(26)14-6-3-5-13(11-14)15-7-1-2-9-22-15/h1-3,5-7,9,11,16-17H,4,8,10,12H2,(H,23,25)
InChIKeyDQWHXXDCCPJQEU-UHFFFAOYSA-N
XLogP2.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide (CID 134800390) is N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide is O=C(NCC(F)F)C1CCCN1C(=O)c1cccc(-c2ccccn2)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is DQWHXXDCCPJQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-17(21)12-23-18(25)16-8-4-10-24(16)19(26)14-6-3-5-13(11-14)15-7-1-2-9-22-15/h1-3,5-7,9,11,16-17H,4,8,10,12H2,(H,23,25).
What are the key properties of N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide?
N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134800390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).