5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide

C17H16BrFN2O5 — CID 51114597

IUPAC5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C17H16BrFN2O5/c18-14-2-1-13(26-14)17(23)21-7-15(22)20-4-3-10-5-12(19)6-11-8-24-9-25-16(10)11/h1-2,5-6H,3-4,7-9H2,(H,20,22)(H,21,23)
InChIKeyFBKCYNHJPXHUHN-UHFFFAOYSA-N
MW427.23 g/mol
LogP2.14
Rot. Bonds6

About 5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 51114597) has the molecular formula C17H16BrFN2O5 and a molecular weight of 427.23 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID51114597
Molecular FormulaC17H16BrFN2O5
Molecular Weight427.23 g/mol
Exact Mass426.02
IUPAC Name5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C17H16BrFN2O5/c18-14-2-1-13(26-14)17(23)21-7-15(22)20-4-3-10-5-12(19)6-11-8-24-9-25-16(10)11/h1-2,5-6H,3-4,7-9H2,(H,20,22)(H,21,23)
InChIKeyFBKCYNHJPXHUHN-UHFFFAOYSA-N
XLogP2.14
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55841367
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51120004
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
CID 86865764
N-[4-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 55842902
4-(5-chlorothiophen-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-oxobutanamide
CID 60513103
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide
CID 55841751
2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide
CID 55841999
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-propan-2-yloxypropanamide
CID 87017351
3-(4-chlorophenyl)sulfanyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide
CID 60547529
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51120020
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 4035675
2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975222

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide (CID 51114597) is 5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NCCc1cc(F)cc2c1OCOC2.
What is the InChIKey of 5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is FBKCYNHJPXHUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O5/c18-14-2-1-13(26-14)17(23)21-7-15(22)20-4-3-10-5-12(19)6-11-8-24-9-25-16(10)11/h1-2,5-6H,3-4,7-9H2,(H,20,22)(H,21,23).
What are the key properties of 5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 427.23 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 51114597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).