N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide

C13H10BrNO4 — CID 728785

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(Br)o1
InChIInChI=1S/C13H10BrNO4/c14-12-4-3-10(19-12)13(16)15-6-8-1-2-9-11(5-8)18-7-17-9/h1-5H,6-7H2,(H,15,16)
InChIKeyITMBMDTZZZBFSV-UHFFFAOYSA-N
MW324.13 g/mol
LogP2.70
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide (PubChem CID 728785) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide
PubChem CID728785
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(Br)o1
InChIInChI=1S/C13H10BrNO4/c14-12-4-3-10(19-12)13(16)15-6-8-1-2-9-11(5-8)18-7-17-9/h1-5H,6-7H2,(H,15,16)
InChIKeyITMBMDTZZZBFSV-UHFFFAOYSA-N
XLogP2.70
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 674786
N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 703899
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-furyl)acrylamide
CID 878107
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide
CID 2444322
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 797294
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-furamide
CID 887830
1-(1,3-Benzodioxol-5-ylmethyl)-4-(5-methyl-2-furoyl)piperazine
CID 897932
N-benzyl-5-bromofuran-2-carboxamide
CID 762672
N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)benzo[d]furan-2-ylcarboxamide
CID 673861
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl](5-bromofuran-2-yl)methanone
CID 1137490
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 2278931
N-[1-(aminocarbonyl)-2-(1,3-benzodioxol-5-yl)vinyl]-2-furamide
CID 5405356

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide (CID 728785) is N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc(Br)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide?
The InChIKey is ITMBMDTZZZBFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c14-12-4-3-10(19-12)13(16)15-6-8-1-2-9-11(5-8)18-7-17-9/h1-5H,6-7H2,(H,15,16).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide has a molecular weight of 324.13 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 728785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).