5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide

C21H19FN2O4 — CID 35328950

IUPAC5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)N2CCOCC2)oc2ccc(F)cc12
InChIInChI=1S/C21H19FN2O4/c1-13-16-12-14(22)6-7-18(16)28-19(13)20(25)23-17-5-3-2-4-15(17)21(26)24-8-10-27-11-9-24/h2-7,12H,8-11H2,1H3,(H,23,25)
InChIKeyOCYCDALUFWGTMU-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.61
Rot. Bonds3

About 5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 35328950) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID35328950
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)N2CCOCC2)oc2ccc(F)cc12
InChIInChI=1S/C21H19FN2O4/c1-13-16-12-14(22)6-7-18(16)28-19(13)20(25)23-17-5-3-2-4-15(17)21(26)24-8-10-27-11-9-24/h2-7,12H,8-11H2,1H3,(H,23,25)
InChIKeyOCYCDALUFWGTMU-UHFFFAOYSA-N
XLogP3.61
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55613510
2,4-difluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7638212
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 24660150
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 17488293
N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344840
N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344702
4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 4933228
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide (CID 35328950) is 5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccccc2C(=O)N2CCOCC2)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is OCYCDALUFWGTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-13-16-12-14(22)6-7-18(16)28-19(13)20(25)23-17-5-3-2-4-15(17)21(26)24-8-10-27-11-9-24/h2-7,12H,8-11H2,1H3,(H,23,25).
What are the key properties of 5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35328950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).