5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide

C13H10BrNO3 — CID 34441377

IUPAC5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1ccc(Br)o1
InChIInChI=1S/C13H10BrNO3/c14-12-4-3-11(18-12)13(16)15-9-1-2-10-8(7-9)5-6-17-10/h1-4,7H,5-6H2,(H,15,16)
InChIKeyWRNRVXXQGVRNEF-UHFFFAOYSA-N
MW308.13 g/mol
LogP3.23
Rot. Bonds2

About 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide

5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide (PubChem CID 34441377) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide
PubChem CID34441377
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1ccc(Br)o1
InChIInChI=1S/C13H10BrNO3/c14-12-4-3-11(18-12)13(16)15-9-1-2-10-8(7-9)5-6-17-10/h1-4,7H,5-6H2,(H,15,16)
InChIKeyWRNRVXXQGVRNEF-UHFFFAOYSA-N
XLogP3.23
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-5-sulfamoylfuran-2-carboxamide
CID 112522621
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 102851182
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide
CID 38558716
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylbenzamide
CID 104852259
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753
6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide
CID 113346686
1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866595
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide (CID 34441377) is 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)CCO2)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide?
The InChIKey is WRNRVXXQGVRNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c14-12-4-3-11(18-12)13(16)15-9-1-2-10-8(7-9)5-6-17-10/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide?
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide has a molecular weight of 308.13 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide is sourced from PubChem (CID 34441377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).