1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide

C21H22F2N2O2 — CID 42681275

IUPAC1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2ccccc2F)CC1c1cccc(F)c1
InChIInChI=1S/C21H22F2N2O2/c1-13(2)24-20(26)18-12-25(21(27)16-8-3-4-9-19(16)23)11-17(18)14-6-5-7-15(22)10-14/h3-10,13,17-18H,11-12H2,1-2H3,(H,24,26)
InChIKeyNSJAZRYENVDCEG-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.35
Rot. Bonds4

About 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide

1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 42681275) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID42681275
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2ccccc2F)CC1c1cccc(F)c1
InChIInChI=1S/C21H22F2N2O2/c1-13(2)24-20(26)18-12-25(21(27)16-8-3-4-9-19(16)23)11-17(18)14-6-5-7-15(22)10-14/h3-10,13,17-18H,11-12H2,1-2H3,(H,24,26)
InChIKeyNSJAZRYENVDCEG-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 42681275) is 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1CN(C(=O)c2ccccc2F)CC1c1cccc(F)c1.
What is the InChIKey of 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is NSJAZRYENVDCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-13(2)24-20(26)18-12-25(21(27)16-8-3-4-9-19(16)23)11-17(18)14-6-5-7-15(22)10-14/h3-10,13,17-18H,11-12H2,1-2H3,(H,24,26).
What are the key properties of 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42681275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).