N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C19H16BrNO5 — CID 30729033

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cc3c(cc2Br)OCCO3)oc2ccccc12
InChIInChI=1S/C19H16BrNO5/c1-23-10-12-11-4-2-3-5-15(11)26-18(12)19(22)21-14-9-17-16(8-13(14)20)24-6-7-25-17/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)
InChIKeyDRDADWPTWNNPFW-UHFFFAOYSA-N
MW418.24 g/mol
LogP4.37
Rot. Bonds4

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 30729033) has the molecular formula C19H16BrNO5 and a molecular weight of 418.24 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID30729033
Molecular FormulaC19H16BrNO5
Molecular Weight418.24 g/mol
Exact Mass417.02
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cc3c(cc2Br)OCCO3)oc2ccccc12
InChIInChI=1S/C19H16BrNO5/c1-23-10-12-11-4-2-3-5-15(11)26-18(12)19(22)21-14-9-17-16(8-13(14)20)24-6-7-25-17/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)
InChIKeyDRDADWPTWNNPFW-UHFFFAOYSA-N
XLogP4.37
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7770218
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide
CID 17479827
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409
N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921
3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 30728400
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 34188198
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153429

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 30729033) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2cc3c(cc2Br)OCCO3)oc2ccccc12.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is DRDADWPTWNNPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO5/c1-23-10-12-11-4-2-3-5-15(11)26-18(12)19(22)21-14-9-17-16(8-13(14)20)24-6-7-25-17/h2-5,8-9H,6-7,10H2,1H3,(H,21,22).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 418.24 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 30729033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).