N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide

C27H21NO4 — CID 2097134

IUPACN-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(COc3ccccc3)cc1)oc1ccccc12
InChIInChI=1S/C27H21NO4/c1-30-26-15-22-21-9-5-6-10-24(21)32-25(22)16-23(26)28-27(29)19-13-11-18(12-14-19)17-31-20-7-3-2-4-8-20/h2-16H,17H2,1H3,(H,28,29)
InChIKeyOXGVDYDRDSTOMN-UHFFFAOYSA-N
MW423.47 g/mol
LogP6.43
Rot. Bonds6

About N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide

N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide (PubChem CID 2097134) has the molecular formula C27H21NO4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
PubChem CID2097134
Molecular FormulaC27H21NO4
Molecular Weight423.47 g/mol
Exact Mass423.15
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(COc3ccccc3)cc1)oc1ccccc12
InChIInChI=1S/C27H21NO4/c1-30-26-15-22-21-9-5-6-10-24(21)32-25(22)16-23(26)28-27(29)19-13-11-18(12-14-19)17-31-20-7-3-2-4-8-20/h2-16H,17H2,1H3,(H,28,29)
InChIKeyOXGVDYDRDSTOMN-UHFFFAOYSA-N
XLogP6.43
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide
CID 4767089
N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide
CID 26620629
1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55696455
3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(2-phenoxyethyl)urea
CID 55696611
N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide
CID 8777447
4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 4876013
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate
CID 7695279
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
N-(2-methoxydibenzofuran-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26667364
3-(dimethylsulfamoyl)-4-methoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 26413572
N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide
CID 2912279

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide (CID 2097134) is N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide is COc1cc2c(cc1NC(=O)c1ccc(COc3ccccc3)cc1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide?
The InChIKey is OXGVDYDRDSTOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO4/c1-30-26-15-22-21-9-5-6-10-24(21)32-25(22)16-23(26)28-27(29)19-13-11-18(12-14-19)17-31-20-7-3-2-4-8-20/h2-16H,17H2,1H3,(H,28,29).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide?
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide has a molecular weight of 423.47 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 2097134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).