7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide

C21H19FN2O3 — CID 8589442

IUPAC7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(N3CCCC3=O)cc2)oc2c(F)cccc12
InChIInChI=1S/C21H19FN2O3/c1-13-16-4-2-5-17(22)20(16)27-19(13)21(26)23-12-14-7-9-15(10-8-14)24-11-3-6-18(24)25/h2,4-5,7-10H,3,6,11-12H2,1H3,(H,23,26)
InChIKeyHMAPAVJHVVWQER-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.94
Rot. Bonds4

About 7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide

7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 8589442) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID8589442
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(N3CCCC3=O)cc2)oc2c(F)cccc12
InChIInChI=1S/C21H19FN2O3/c1-13-16-4-2-5-17(22)20(16)27-19(13)21(26)23-12-14-7-9-15(10-8-14)24-11-3-6-18(24)25/h2,4-5,7-10H,3,6,11-12H2,1H3,(H,23,26)
InChIKeyHMAPAVJHVVWQER-UHFFFAOYSA-N
XLogP3.94
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8589120
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
N-(1,3-benzodioxol-5-ylmethyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 8869046
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 24819346
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
2,4-difluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 1259715
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
4-chloro-2-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589680
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 8589442) is 7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccc(N3CCCC3=O)cc2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is HMAPAVJHVVWQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-13-16-4-2-5-17(22)20(16)27-19(13)21(26)23-12-14-7-9-15(10-8-14)24-11-3-6-18(24)25/h2,4-5,7-10H,3,6,11-12H2,1H3,(H,23,26).
What are the key properties of 7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide?
7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8589442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).