3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide

C26H27FN2O6 — CID 46487241

IUPAC3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C26H27FN2O6/c1-32-21-10-9-19(15-20(21)29-26(31)17-6-5-7-18(27)14-17)28-24(30)11-8-16-12-22(33-2)25(35-4)23(13-16)34-3/h5-7,9-10,12-15H,8,11H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyVWPZCMRGMCMVET-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.68
Rot. Bonds10

About 3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide

3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide (PubChem CID 46487241) has the molecular formula C26H27FN2O6 and a molecular weight of 482.51 g/mol. Its IUPAC name is 3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
PubChem CID46487241
Molecular FormulaC26H27FN2O6
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C26H27FN2O6/c1-32-21-10-9-19(15-20(21)29-26(31)17-6-5-7-18(27)14-17)28-24(30)11-8-16-12-22(33-2)25(35-4)23(13-16)34-3/h5-7,9-10,12-15H,8,11H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyVWPZCMRGMCMVET-UHFFFAOYSA-N
XLogP4.68
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725477
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725621
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950
N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2665681
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2683148
3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide
CID 55725734

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide (CID 46487241) is 3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide is COc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide?
The InChIKey is VWPZCMRGMCMVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O6/c1-32-21-10-9-19(15-20(21)29-26(31)17-6-5-7-18(27)14-17)28-24(30)11-8-16-12-22(33-2)25(35-4)23(13-16)34-3/h5-7,9-10,12-15H,8,11H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of 3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide?
3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide has a molecular weight of 482.51 g/mol, XLogP of 4.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 46487241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).