4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide

C21H23FN2O5 — CID 144795662

IUPAC4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide
SMILESCOc1cc(C(=O)NCCC(=O)c2cc3c(c(C)n2)OCC3)ccc1OCCF
InChIInChI=1S/C21H23FN2O5/c1-13-20-14(6-9-29-20)11-16(24-13)17(25)5-8-23-21(26)15-3-4-18(28-10-7-22)19(12-15)27-2/h3-4,11-12H,5-10H2,1-2H3,(H,23,26)
InChIKeyILLFGLJUGHDRJY-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.68
Rot. Bonds9

About 4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide

4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide (PubChem CID 144795662) has the molecular formula C21H23FN2O5 and a molecular weight of 402.42 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide
PubChem CID144795662
Molecular FormulaC21H23FN2O5
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide
SMILESCOc1cc(C(=O)NCCC(=O)c2cc3c(c(C)n2)OCC3)ccc1OCCF
InChIInChI=1S/C21H23FN2O5/c1-13-20-14(6-9-29-20)11-16(24-13)17(25)5-8-23-21(26)15-3-4-18(28-10-7-22)19(12-15)27-2/h3-4,11-12H,5-10H2,1-2H3,(H,23,26)
InChIKeyILLFGLJUGHDRJY-UHFFFAOYSA-N
XLogP2.68
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide with MolForge

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Related Compounds

methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
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3,4-dimethoxy-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
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3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095413
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
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N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263
N-[2-[6-(2,4-difluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061780
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110711801
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 87043392
3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327875

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide?
The IUPAC name of 4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide (CID 144795662) is 4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide is COc1cc(C(=O)NCCC(=O)c2cc3c(c(C)n2)OCC3)ccc1OCCF.
What is the InChIKey of 4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide?
The InChIKey is ILLFGLJUGHDRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O5/c1-13-20-14(6-9-29-20)11-16(24-13)17(25)5-8-23-21(26)15-3-4-18(28-10-7-22)19(12-15)27-2/h3-4,11-12H,5-10H2,1-2H3,(H,23,26).
What are the key properties of 4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide?
4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide has a molecular weight of 402.42 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-3-methoxy-N-[3-(7-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 144795662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).