N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide

C26H21N3O5 — CID 53116870

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc5c(c4)OCCO5)c3)cn2)c1
InChIInChI=1S/C26H21N3O5/c1-31-21-6-3-7-22(14-21)34-26-27-15-19(16-28-26)17-4-2-5-18(12-17)25(30)29-20-8-9-23-24(13-20)33-11-10-32-23/h2-9,12-16H,10-11H2,1H3,(H,29,30)
InChIKeyMUSZWENXVBDHHB-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.97
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide (PubChem CID 53116870) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
PubChem CID53116870
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc5c(c4)OCCO5)c3)cn2)c1
InChIInChI=1S/C26H21N3O5/c1-31-21-6-3-7-22(14-21)34-26-27-15-19(16-28-26)17-4-2-5-18(12-17)25(30)29-20-8-9-23-24(13-20)33-11-10-32-23/h2-9,12-16H,10-11H2,1H3,(H,29,30)
InChIKeyMUSZWENXVBDHHB-UHFFFAOYSA-N
XLogP4.97
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116889
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387014
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116901
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747200
N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116986
N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 53116939
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116904
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide
CID 110372177
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116991
3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide
CID 53002812

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide (CID 53116870) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide is COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc5c(c4)OCCO5)c3)cn2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The InChIKey is MUSZWENXVBDHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c1-31-21-6-3-7-22(14-21)34-26-27-15-19(16-28-26)17-4-2-5-18(12-17)25(30)29-20-8-9-23-24(13-20)33-11-10-32-23/h2-9,12-16H,10-11H2,1H3,(H,29,30).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide has a molecular weight of 455.47 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 53116870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).