1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide

C22H25FN2O2 — CID 42680113

IUPAC1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2ccccc2F)CC1c1ccccc1
InChIInChI=1S/C22H25FN2O2/c1-15(2)12-24-21(26)19-14-25(13-18(19)16-8-4-3-5-9-16)22(27)17-10-6-7-11-20(17)23/h3-11,15,18-19H,12-14H2,1-2H3,(H,24,26)
InChIKeyYSLPKOORIDWFKL-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.45
Rot. Bonds5

About 1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide

1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide (PubChem CID 42680113) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide
PubChem CID42680113
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2ccccc2F)CC1c1ccccc1
InChIInChI=1S/C22H25FN2O2/c1-15(2)12-24-21(26)19-14-25(13-18(19)16-8-4-3-5-9-16)22(27)17-10-6-7-11-20(17)23/h3-11,15,18-19H,12-14H2,1-2H3,(H,24,26)
InChIKeyYSLPKOORIDWFKL-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide (CID 42680113) is 1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CN(C(=O)c2ccccc2F)CC1c1ccccc1.
What is the InChIKey of 1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is YSLPKOORIDWFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15(2)12-24-21(26)19-14-25(13-18(19)16-8-4-3-5-9-16)22(27)17-10-6-7-11-20(17)23/h3-11,15,18-19H,12-14H2,1-2H3,(H,24,26).
What are the key properties of 1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide?
1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-N-(2-methylpropyl)-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42680113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).