1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

C22H24F2N2O2 — CID 42680924

IUPAC1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2ccc(F)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C22H24F2N2O2/c1-14(2)11-25-21(27)20-13-26(22(28)16-5-9-18(24)10-6-16)12-19(20)15-3-7-17(23)8-4-15/h3-10,14,19-20H,11-13H2,1-2H3,(H,25,27)
InChIKeySZYHHKBWRVPHOG-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.59
Rot. Bonds5

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

1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (PubChem CID 42680924) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
PubChem CID42680924
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2ccc(F)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C22H24F2N2O2/c1-14(2)11-25-21(27)20-13-26(22(28)16-5-9-18(24)10-6-16)12-19(20)15-3-7-17(23)8-4-15/h3-10,14,19-20H,11-13H2,1-2H3,(H,25,27)
InChIKeySZYHHKBWRVPHOG-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide (CID 42680924) is 1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CN(C(=O)c2ccc(F)cc2)CC1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is SZYHHKBWRVPHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-14(2)11-25-21(27)20-13-26(22(28)16-5-9-18(24)10-6-16)12-19(20)15-3-7-17(23)8-4-15/h3-10,14,19-20H,11-13H2,1-2H3,(H,25,27).
What are the key properties of 1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42680924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).