2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide

C18H18F4N4O2 — CID 68646528

IUPAC2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
SMILESNC1CN(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)CC1C(F)(F)F
InChIInChI=1S/C18H18F4N4O2/c19-13-7-11(26-6-2-1-3-17(26)28)4-5-15(13)24-16(27)10-25-8-12(14(23)9-25)18(20,21)22/h1-7,12,14H,8-10,23H2,(H,24,27)
InChIKeyPQCZWSNVKITXQY-UHFFFAOYSA-N
MW398.36 g/mol
LogP1.74
Rot. Bonds4

About 2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide

2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide (PubChem CID 68646528) has the molecular formula C18H18F4N4O2 and a molecular weight of 398.36 g/mol. Its IUPAC name is 2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
PubChem CID68646528
Molecular FormulaC18H18F4N4O2
Molecular Weight398.36 g/mol
Exact Mass398.14
IUPAC Name2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
SMILESNC1CN(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)CC1C(F)(F)F
InChIInChI=1S/C18H18F4N4O2/c19-13-7-11(26-6-2-1-3-17(26)28)4-5-15(13)24-16(27)10-25-8-12(14(23)9-25)18(20,21)22/h1-7,12,14H,8-10,23H2,(H,24,27)
InChIKeyPQCZWSNVKITXQY-UHFFFAOYSA-N
XLogP1.74
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
The IUPAC name of 2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide (CID 68646528) is 2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
The canonical SMILES for 2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide is NC1CN(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)CC1C(F)(F)F.
What is the InChIKey of 2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
The InChIKey is PQCZWSNVKITXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O2/c19-13-7-11(26-6-2-1-3-17(26)28)4-5-15(13)24-16(27)10-25-8-12(14(23)9-25)18(20,21)22/h1-7,12,14H,8-10,23H2,(H,24,27).
What are the key properties of 2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide has a molecular weight of 398.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 68646528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).