N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide

C18H16F3N3O3 — CID 162437369

IUPACN-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide
SMILESCOc1cc(F)c(C2CC(=O)N(c3nc(NC(C)=O)ccc3F)C2)c(F)c1
InChIInChI=1S/C18H16F3N3O3/c1-9(25)22-15-4-3-12(19)18(23-15)24-8-10(5-16(24)26)17-13(20)6-11(27-2)7-14(17)21/h3-4,6-7,10H,5,8H2,1-2H3,(H,22,23,25)
InChIKeyJLHYACNXSVWWMT-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.99
Rot. Bonds4

About N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide

N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide (PubChem CID 162437369) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide
PubChem CID162437369
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC NameN-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide
SMILESCOc1cc(F)c(C2CC(=O)N(c3nc(NC(C)=O)ccc3F)C2)c(F)c1
InChIInChI=1S/C18H16F3N3O3/c1-9(25)22-15-4-3-12(19)18(23-15)24-8-10(5-16(24)26)17-13(20)6-11(27-2)7-14(17)21/h3-4,6-7,10H,5,8H2,1-2H3,(H,22,23,25)
InChIKeyJLHYACNXSVWWMT-UHFFFAOYSA-N
XLogP2.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 118420154
CID 118420154
CID 118420285
CID 118420285
CID 118420330
CID 118420330
CID 24830062
CID 24830062
CID 24830389
CID 24830389
CID 24830549
CID 24830549
CID 24830704
CID 24830704
CID 24830706
CID 24830706
CID 24831015
CID 24831015
CID 53373586
CID 53373586
CID 53380162
CID 53380162
CID 118420466
CID 118420466

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide?
The IUPAC name of N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide (CID 162437369) is N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide is COc1cc(F)c(C2CC(=O)N(c3nc(NC(C)=O)ccc3F)C2)c(F)c1.
What is the InChIKey of N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide?
The InChIKey is JLHYACNXSVWWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-9(25)22-15-4-3-12(19)18(23-15)24-8-10(5-16(24)26)17-13(20)6-11(27-2)7-14(17)21/h3-4,6-7,10H,5,8H2,1-2H3,(H,22,23,25).
What are the key properties of N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide?
N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide has a molecular weight of 379.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-fluoro-2-pyridinyl]acetamide is sourced from PubChem (CID 162437369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).