2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide

C19H20BrNO5 — CID 91958228

IUPAC2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide
SMILESCC(C)Oc1cc(C(=O)N(CCO)Cc2ccco2)cc2oc(Br)cc12
InChIInChI=1S/C19H20BrNO5/c1-12(2)25-16-8-13(9-17-15(16)10-18(20)26-17)19(23)21(5-6-22)11-14-4-3-7-24-14/h3-4,7-10,12,22H,5-6,11H2,1-2H3
InChIKeyZZBMVGKQDBIYJR-UHFFFAOYSA-N
MW422.28 g/mol
LogP4.21
Rot. Bonds7

About 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide

2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide (PubChem CID 91958228) has the molecular formula C19H20BrNO5 and a molecular weight of 422.28 g/mol. Its IUPAC name is 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide
PubChem CID91958228
Molecular FormulaC19H20BrNO5
Molecular Weight422.28 g/mol
Exact Mass421.05
IUPAC Name2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide
SMILESCC(C)Oc1cc(C(=O)N(CCO)Cc2ccco2)cc2oc(Br)cc12
InChIInChI=1S/C19H20BrNO5/c1-12(2)25-16-8-13(9-17-15(16)10-18(20)26-17)19(23)21(5-6-22)11-14-4-3-7-24-14/h3-4,7-10,12,22H,5-6,11H2,1-2H3
InChIKeyZZBMVGKQDBIYJR-UHFFFAOYSA-N
XLogP4.21
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
CID 71688772
2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958966
N,N-bis(furan-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 115593503
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
(2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide
CID 125443269
2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide
CID 91958146
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82324557
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
N,N-bis(furan-2-ylmethyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 112767079

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The IUPAC name of 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide (CID 91958228) is 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide.
What is the SMILES notation for 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The canonical SMILES for 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide is CC(C)Oc1cc(C(=O)N(CCO)Cc2ccco2)cc2oc(Br)cc12.
What is the InChIKey of 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The InChIKey is ZZBMVGKQDBIYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO5/c1-12(2)25-16-8-13(9-17-15(16)10-18(20)26-17)19(23)21(5-6-22)11-14-4-3-7-24-14/h3-4,7-10,12,22H,5-6,11H2,1-2H3.
What are the key properties of 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide has a molecular weight of 422.28 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide is sourced from PubChem (CID 91958228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).