N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide

C20H19FN4O2 — CID 42465722

IUPACN-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide
SMILESO=C(Cc1[nH]nc2ccccc12)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H19FN4O2/c21-14-7-5-13(6-8-14)11-25-12-15(9-20(25)27)22-19(26)10-18-16-3-1-2-4-17(16)23-24-18/h1-8,15H,9-12H2,(H,22,26)(H,23,24)/t15-/m1/s1
InChIKeyDNZDBMHRMMLJLZ-OAHLLOKOSA-N
MW366.40 g/mol
LogP2.16
Rot. Bonds5

About N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide

N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide (PubChem CID 42465722) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide
PubChem CID42465722
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide
SMILESO=C(Cc1[nH]nc2ccccc12)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H19FN4O2/c21-14-7-5-13(6-8-14)11-25-12-15(9-20(25)27)22-19(26)10-18-16-3-1-2-4-17(16)23-24-18/h1-8,15H,9-12H2,(H,22,26)(H,23,24)/t15-/m1/s1
InChIKeyDNZDBMHRMMLJLZ-OAHLLOKOSA-N
XLogP2.16
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 42392564
2-(2-chloro-6-fluorophenyl)-N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25382394
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 25383408
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 26397202
2-acetamido-N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 26334712
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42123595
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 42519689
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 42292675
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide?
The IUPAC name of N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide (CID 42465722) is N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide?
The canonical SMILES for N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide is O=C(Cc1[nH]nc2ccccc12)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide?
The InChIKey is DNZDBMHRMMLJLZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-14-7-5-13(6-8-14)11-25-12-15(9-20(25)27)22-19(26)10-18-16-3-1-2-4-17(16)23-24-18/h1-8,15H,9-12H2,(H,22,26)(H,23,24)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide?
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide has a molecular weight of 366.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2H-indazol-3-yl)acetamide is sourced from PubChem (CID 42465722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).