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

C21H23FN2O2 — CID 42681273

IUPAC1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2ccccc2)CC1c1cccc(F)c1
InChIInChI=1S/C21H23FN2O2/c1-14(2)23-20(25)19-13-24(21(26)15-7-4-3-5-8-15)12-18(19)16-9-6-10-17(22)11-16/h3-11,14,18-19H,12-13H2,1-2H3,(H,23,25)
InChIKeyXRIZZZVMXGINTI-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.21
Rot. Bonds4

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

1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 42681273) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID42681273
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2ccccc2)CC1c1cccc(F)c1
InChIInChI=1S/C21H23FN2O2/c1-14(2)23-20(25)19-13-24(21(26)15-7-4-3-5-8-15)12-18(19)16-9-6-10-17(22)11-16/h3-11,14,18-19H,12-13H2,1-2H3,(H,23,25)
InChIKeyXRIZZZVMXGINTI-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 42681273) is 1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1CN(C(=O)c2ccccc2)CC1c1cccc(F)c1.
What is the InChIKey of 1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is XRIZZZVMXGINTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-14(2)23-20(25)19-13-24(21(26)15-7-4-3-5-8-15)12-18(19)16-9-6-10-17(22)11-16/h3-11,14,18-19H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42681273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).