2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide

C24H29FN2O6 — CID 158906303

IUPAC2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)c(C(=O)CCCN2CCOCC2)c(OC)c1OC
InChIInChI=1S/C24H29FN2O6/c1-30-20-15-18(26-24(29)16-7-4-5-8-17(16)25)21(23(32-3)22(20)31-2)19(28)9-6-10-27-11-13-33-14-12-27/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,26,29)
InChIKeyJGBXAFOXSSAIFU-UHFFFAOYSA-N
MW460.50 g/mol
LogP3.40
Rot. Bonds10

About 2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide

2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide (PubChem CID 158906303) has the molecular formula C24H29FN2O6 and a molecular weight of 460.50 g/mol. Its IUPAC name is 2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
PubChem CID158906303
Molecular FormulaC24H29FN2O6
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)c(C(=O)CCCN2CCOCC2)c(OC)c1OC
InChIInChI=1S/C24H29FN2O6/c1-30-20-15-18(26-24(29)16-7-4-5-8-17(16)25)21(23(32-3)22(20)31-2)19(28)9-6-10-27-11-13-33-14-12-27/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,26,29)
InChIKeyJGBXAFOXSSAIFU-UHFFFAOYSA-N
XLogP3.40
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide (CID 158906303) is 2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide is COc1cc(NC(=O)c2ccccc2F)c(C(=O)CCCN2CCOCC2)c(OC)c1OC.
What is the InChIKey of 2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide?
The InChIKey is JGBXAFOXSSAIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O6/c1-30-20-15-18(26-24(29)16-7-4-5-8-17(16)25)21(23(32-3)22(20)31-2)19(28)9-6-10-27-11-13-33-14-12-27/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,26,29).
What are the key properties of 2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide?
2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide has a molecular weight of 460.50 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide is sourced from PubChem (CID 158906303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).