3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide

C24H24ClFN4O2 — CID 45178769

IUPAC3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
SMILESO=C(CCC1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C24H24ClFN4O2/c25-19-6-4-17(5-7-19)13-24(11-9-23(32)29-24)10-8-22(31)27-14-18-15-28-30(16-18)21-3-1-2-20(26)12-21/h1-7,12,15-16H,8-11,13-14H2,(H,27,31)(H,29,32)
InChIKeyZOBJWALCFVMNBL-UHFFFAOYSA-N
MW454.93 g/mol
LogP3.95
Rot. Bonds8

About 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide

3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide (PubChem CID 45178769) has the molecular formula C24H24ClFN4O2 and a molecular weight of 454.93 g/mol. Its IUPAC name is 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
PubChem CID45178769
Molecular FormulaC24H24ClFN4O2
Molecular Weight454.93 g/mol
Exact Mass454.16
IUPAC Name3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
SMILESO=C(CCC1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C24H24ClFN4O2/c25-19-6-4-17(5-7-19)13-24(11-9-23(32)29-24)10-8-22(31)27-14-18-15-28-30(16-18)21-3-1-2-20(26)12-21/h1-7,12,15-16H,8-11,13-14H2,(H,27,31)(H,29,32)
InChIKeyZOBJWALCFVMNBL-UHFFFAOYSA-N
XLogP3.95
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide?
The IUPAC name of 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide (CID 45178769) is 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide.
What is the SMILES notation for 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide?
The canonical SMILES for 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide is O=C(CCC1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1cnn(-c2cccc(F)c2)c1.
What is the InChIKey of 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide?
The InChIKey is ZOBJWALCFVMNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O2/c25-19-6-4-17(5-7-19)13-24(11-9-23(32)29-24)10-8-22(31)27-14-18-15-28-30(16-18)21-3-1-2-20(26)12-21/h1-7,12,15-16H,8-11,13-14H2,(H,27,31)(H,29,32).
What are the key properties of 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide?
3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide has a molecular weight of 454.93 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide is sourced from PubChem (CID 45178769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).