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

C21H22F2N2O2 — CID 42681269

IUPAC1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2ccc(F)cc2)CC1c1cccc(F)c1
InChIInChI=1S/C21H22F2N2O2/c1-13(2)24-20(26)19-12-25(21(27)14-6-8-16(22)9-7-14)11-18(19)15-4-3-5-17(23)10-15/h3-10,13,18-19H,11-12H2,1-2H3,(H,24,26)
InChIKeyUBAOANOPGRTXEQ-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.35
Rot. Bonds4

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

1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 42681269) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID42681269
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2ccc(F)cc2)CC1c1cccc(F)c1
InChIInChI=1S/C21H22F2N2O2/c1-13(2)24-20(26)19-12-25(21(27)14-6-8-16(22)9-7-14)11-18(19)15-4-3-5-17(23)10-15/h3-10,13,18-19H,11-12H2,1-2H3,(H,24,26)
InChIKeyUBAOANOPGRTXEQ-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-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 42681269) is 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1CN(C(=O)c2ccc(F)cc2)CC1c1cccc(F)c1.
What is the InChIKey of 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is UBAOANOPGRTXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-13(2)24-20(26)19-12-25(21(27)14-6-8-16(22)9-7-14)11-18(19)15-4-3-5-17(23)10-15/h3-10,13,18-19H,11-12H2,1-2H3,(H,24,26).
What are the key properties of 1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
1-(4-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-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42681269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).